No.,Class,SMILES,pIC50,Y-Label,MW,RBN,nCIC,nHDon,nHAcc,ALogP,TPSA,Qm,Energy,Dipole moment,HOMO,LUMO,HOMO-LUMO gap,Article Title,Reference
1,Non-Steroid,O=C1N(C(CCC1(C2=CC=C(C=C2)N)CC)=O)[H],5.15490196,Inactive,232.31,2,2,3,4,1.285,72.19,0.279746515,-765.0037552,4.082,-0.20209,-0.02786,0.17423,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-72
2,Non-Steroid,O=C1N(C(CCC1(C2=CC=C(C=C2)N)CC)=O)C,4.494850022,Inactive,246.34,2,2,2,4,1.491,63.4,0.266307833,-804.3133762,3.5147,-0.20061,-0.02513,0.17548,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-73
3,Non-Steroid,O=C1N(C(CCC1(C2=CC=C(C=C2)N)CC)=O)CC,4.552841969,Inactive,260.37,3,2,2,4,1.84,63.4,0.260490282,-843.6297884,3.4409,-0.20041,-0.02487,0.17554,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-74
4,Non-Steroid,O=C1N(C(CCC1(C2=CC=C(C=C2)N)CC)=O)CCC,5.301029996,Inactive,274.4,4,2,2,4,2.364,63.4,0.254351286,-882.9436553,3.3887,-0.20029,-0.02451,0.17578,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-75
5,Non-Steroid,O=C1N(C(CCC1(C2=CC=C(C=C2)N)CC)=O)CCCC,5.552841969,Inactive,288.43,5,2,2,4,2.82,63.4,0.2489596,-922.2559103,3.3545,-0.20019,-0.02435,0.17584,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-76
6,Non-Steroid,O=C1N(C(CCC1(C2=CC=C(C=C2)N)CC)=O)CCCCC,5.180456064,Inactive,302.46,6,2,2,4,3.276,63.4,0.244476583,-961.5659108,3.3565,-0.20017,-0.02465,0.17552,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-77
7,Non-Steroid,O=C1N(C(CCC1(C2=CC=C(C=C2)N)CC)=O)CCCCCC,5.795880017,Inactive,316.49,7,2,2,4,3.732,63.4,0.241038176,-1000.875988,3.4609,-0.20056,-0.02583,0.17473,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-78
8,Non-Steroid,O=C1N(C(CCC1(C2=CC=C(C=C2)N)CC)=O)CCCCCCC,5.619788758,Inactive,330.52,8,2,2,4,4.188,63.4,0.236312148,-1040.191691,3.3053,-0.20005,-0.0239,0.17615,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-79
9,Non-Steroid,O=C1N(C(CCC1(C2=CC=C(C=C2)N)CC)=O)CCCCCCCC,5.795880017,Inactive,344.55,9,2,2,4,4.645,63.4,0.233669175,-1079.507784,3.509,-0.2011,-0.02705,0.17405,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-80
11,Non-Steroid,O=C1N(CC(C)=O)C(CCC1(CC)C2=CC=C(N)C=C2)=O,4.823908741,Inactive,288.38,4,2,2,5,1.146,80.47,0.277914439,-956.9580187,0.9267,-0.20029,-0.02343,0.17686,"1-Alkyl analogues of aminoglutethimide. Comparative inhibition of cholesterol side chain cleavage and aromatase and metabolism of the 1-propyl derivative, a highly selective inhibitor of aromatase",Biochem Pharmacol. 1988;37(11):2167-81
12,Steroid,CC12C(C(CC3C2CCC4(C)C3CCC4=O)=O)=CC(OC=O)CC1,4.301029996,Inactive,330.46,2,4,0,4,2.524,60.44,0.21583812,-1078.657224,7.0237,-0.24364,-0.05752,0.18612,3 beta-hydroxyandrost-4-en-6-one derivatives as aromatase inhibitors,Steroids. 1989;54(3):299-311
13,Steroid,CC12C(C(CC3C2CCC4(C)C3CCC4=O)=O)=CC(OC(C)=O)CC1,5.48148606,Inactive,344.49,2,4,0,4,2.571,60.44,0.229051377,-1117.990586,2.6763,-0.23947,-0.0491,0.19037,3 beta-hydroxyandrost-4-en-6-one derivatives as aromatase inhibitors,Steroids. 1989;54(3):299-312
17,Steroid,CC12CCCC=C1C(CC3C2CCC4(C3CCC4=O)C)=O,5.769551079,Inactive,286.45,0,4,0,2,3.294,34.14,0.206658234,-890.1128367,4.5421,-0.23207,-0.03819,0.19388,3 beta-hydroxyandrost-4-en-6-one derivatives as aromatase inhibitors,Steroids. 1989;54(3):299-313
18,Steroid,C[C@@]12C([C@@H](CCC3=CC=CC=C3)CC4C2CC[C@@]5(C)C4CCC5)=CC(CC1)=O,3.853871964,Inactive,376.63,3,5,0,1,6.632,17.07,0.184103,-1125.784825,4.5716,-0.22907,-0.04191,0.18716,"6-Phenylaliphatic-substituted androst-4-ene-3,17-diones as aromatase inhibitors: structure-activity relationships",J Steroid Biochem Mol Biol. 1998 Oct;67(1):41-8
19,Steroid,C[C@@]12C([C@@H](CCCC3=CC=CC=C3)CC4C2CC[C@@]5(C)C4CCC5)=CC(CC1)=O,3.397940009,Inactive,390.66,4,5,0,1,7.088,17.07,0.183352821,-1165.098418,4.5741,-0.22838,-0.04106,0.18732,"6-Phenylaliphatic-substituted androst-4-ene-3,17-diones as aromatase inhibitors: structure-activity relationships",J Steroid Biochem Mol Biol. 1998 Oct;67(1):41-9
20,Steroid,C[C@@]12C([C@@H](CCCCC3=CC=CC=C3)CC4C2CC[C@@]5(C)C4CCC5)=CC(CC1)=O,3.468521083,Inactive,404.69,5,5,0,1,7.544,17.07,0.182803286,-1204.410682,4.5546,-0.22818,-0.04088,0.1873,"6-Phenylaliphatic-substituted androst-4-ene-3,17-diones as aromatase inhibitors: structure-activity relationships",J Steroid Biochem Mol Biol. 1998 Oct;67(1):41-10
21,Steroid,C[C@@]12C([C@@H](CCCCCC3=CC=CC=C3)CC4C2CC[C@@]5(C)C4CCC5)=CC(CC1)=O,3.251811973,Inactive,418.72,6,5,0,1,8,17.07,0.182626068,-1243.720665,4.3153,-0.22834,-0.04102,0.18732,"6-Phenylaliphatic-substituted androst-4-ene-3,17-diones as aromatase inhibitors: structure-activity relationships",J Steroid Biochem Mol Biol. 1998 Oct;67(1):41-11
22,Steroid,C[C@@]12C([C@H](CCC3=CC=CC=C3)CC4C2CC[C@@]5(C)C4CCC5)=CC(CC1)=O,2.978810701,Inactive,376.63,3,5,0,1,6.632,17.07,0.185752359,-1125.768533,4.495,-0.2276,-0.04198,0.18562,"6-Phenylaliphatic-substituted androst-4-ene-3,17-diones as aromatase inhibitors: structure-activity relationships",J Steroid Biochem Mol Biol. 1998 Oct;67(1):41-12
23,Steroid,C[C@@]12C([C@H](CCCC3=CC=CC=C3)CC4C2CC[C@@]5(C)C4CCC5)=CC(CC1)=O,3.537602002,Inactive,390.66,4,5,0,1,7.088,17.07,0.183647642,-1165.092657,4.4677,-0.22761,-0.04143,0.18618,"6-Phenylaliphatic-substituted androst-4-ene-3,17-diones as aromatase inhibitors: structure-activity relationships",J Steroid Biochem Mol Biol. 1998 Oct;67(1):41-13
24,Steroid,C[C@@]12C([C@H](CCCCC3=CC=CC=C3)CC4C2CC[C@@]5(C)C4CCC5)=CC(CC1)=O,3.869666232,Inactive,404.69,5,5,0,1,7.544,17.07,0.184608186,-1204.394614,4.4995,-0.22757,-0.04153,0.18604,"6-Phenylaliphatic-substituted androst-4-ene-3,17-diones as aromatase inhibitors: structure-activity relationships",J Steroid Biochem Mol Biol. 1998 Oct;67(1):41-14
25,Steroid,C[C@@]12C([C@H](CCCCCC3=CC=CC=C3)CC4C2CC[C@@]5(C)C4CCC5)=CC(CC1)=O,3.346787486,Inactive,418.72,6,5,0,1,8,17.07,0.184413507,-1243.704504,4.6418,-0.22755,-0.0415,0.18605,"6-Phenylaliphatic-substituted androst-4-ene-3,17-diones as aromatase inhibitors: structure-activity relationships",J Steroid Biochem Mol Biol. 1998 Oct;67(1):41-15
26,Steroid,CC12C(CCC2=O)C3[C@H](C(F)4F)[C@H]4C5=CC(CCC5(C)C3CC1)=O,5.93930216,Inactive,334.44,0,5,0,4,2.611,34.14,0.228266708,-1126.65157,5.4097,-0.23815,-0.05657,0.18158,"6 alpha,7 alpha-cyclopropane derivatives of androst-4-ene: a novel class of competitive aromatase inhibitors",Biochem Biophys Res Commun. 1991;177(1):401-6
27,Steroid,CC12C(CCC2=O)C3[C@H](C4)[C@H]4C5=CCCCC5(C)C3CC1,6.823908741,Active,284.48,0,5,0,1,4.111,17.07,0.19124051,-854.1686113,3.0077,-0.22279,-0.01167,0.21112,"6 alpha,7 alpha-cyclopropane derivatives of androst-4-ene: a novel class of competitive aromatase inhibitors",Biochem Biophys Res Commun. 1991;177(1):401-7
28,Steroid,CC12C(CCC2O)C3[C@H](C4)[C@H]4C5=CCCCC5(C)C3CC1,5.568636236,Inactive,286.5,0,5,1,1,4.15,20.23,0.185290627,-855.3610891,1.5374,-0.21969,0.02437,0.24406,"6 alpha,7 alpha-cyclopropane derivatives of androst-4-ene: a novel class of competitive aromatase inhibitors",Biochem Biophys Res Commun. 1991;177(1):401-8
29,Steroid,O=C1CCCC2(C)C1=CCC3C2CCC4(C)C3CCC4=O,5.958607315,Inactive,286.45,0,4,0,2,3.294,34.14,0.206982404,-890.1134876,4.399,-0.23176,-0.03316,0.1986,4-Oxygenated androst-5-en-17-ones and their 7-oxo derivatives as aromatase inhibitors,J Steroid Biochem Mol Biol. 1996;58(4):431-8
30,Steroid,O=C1CCCC2(C)C1=CCC3C2CCC4(C)C3CCC4O,5,Inactive,288.47,0,4,1,2,3.333,37.3,0.20257049,-891.3042535,3.6828,-0.23064,-0.03654,0.1941,4-Oxygenated androst-5-en-17-ones and their 7-oxo derivatives as aromatase inhibitors,J Steroid Biochem Mol Biol. 1996;58(4):431-9
31,Steroid,OC1CCCC2(C)C1=CCC3C2CCC4(C)C3CCC4=O,6.552841969,Active,288.47,0,4,1,2,3.333,37.3,0.202784735,-891.310661,1.6404,-0.23145,-0.01402,0.21743,4-Oxygenated androst-5-en-17-ones and their 7-oxo derivatives as aromatase inhibitors,J Steroid Biochem Mol Biol. 1996;58(4):431-10
32,Steroid,CC12C(C(OC(C)=O)CCC2)=CCC3C1CCC4(C)C3CCC4=O,6,Inactive,330.51,2,4,0,3,3.712,43.37,0.213627759,-1043.995215,2.1348,-0.23034,-0.01284,0.2175,4-Oxygenated androst-5-en-17-ones and their 7-oxo derivatives as aromatase inhibitors,J Steroid Biochem Mol Biol. 1996;58(4):431-11
33,Steroid,O=C1C=C2[C@@H](OC(C)=O)CCCC2(C)C3C1C(CCC4=O)C4(C)CC3,4.022276395,Inactive,344.49,2,4,0,4,2.782,60.44,0.231256642,-1118.009509,2.7929,-0.23212,-0.05124,0.18088,4-Oxygenated androst-5-en-17-ones and their 7-oxo derivatives as aromatase inhibitors,J Steroid Biochem Mol Biol. 1996;58(4):431-12
34,Steroid,O[C@H]1CCCC2(C)C1=CC(C3C2CCC4(C)C3CCC4=O)=O,5.200659451,Inactive,302.45,0,4,1,3,2.403,54.37,0.220046271,-965.3450502,4.8826,-0.22817,-0.05074,0.17743,4-Oxygenated androst-5-en-17-ones and their 7-oxo derivatives as aromatase inhibitors,J Steroid Biochem Mol Biol. 1996;58(4):431-13
35,Steroid,O=C1CCCC2(C)C1=CC(C3C2CCC4(C)C3CCC4=O)=O,5.443697499,Inactive,300.43,0,4,0,3,2.363,51.21,0.223815391,-964.143136,4.3743,-0.23278,-0.07762,0.15516,4-Oxygenated androst-5-en-17-ones and their 7-oxo derivatives as aromatase inhibitors,J Steroid Biochem Mol Biol. 1996;58(4):431-14
36,Steroid,O=C1CCCC2(C1=CC(C3C2CCC4(C3CC[C@@H]4O)C)=O)C,4.244125144,Inactive,302.45,0,4,1,3,2.403,54.37,0.220073958,-965.3173827,5.036,-0.23662,-0.07824,0.15838,4-Oxygenated androst-5-en-17-ones and their 7-oxo derivatives as aromatase inhibitors,J Steroid Biochem Mol Biol. 1996;58(4):431-15
37,Steroid,O=C1CCCC2(CO)C1=CC(C3C2CCC4(C)C3CCC4=O)=O,4.318758763,Inactive,316.43,1,4,1,4,1.272,71.44,0.228522085,-1039.345172,5.6466,-0.22962,-0.07411,0.15551,4-Oxygenated androst-5-en-17-ones and their 7-oxo derivatives as aromatase inhibitors,J Steroid Biochem Mol Biol. 1996;58(4):431-16
38,Steroid,O=C1CCCC2(C=O)C1=CC(C3C2CCC4(C)C3CCC4=O)=O,4.292429824,Inactive,314.41,1,4,0,4,1.529,68.28,0.230267333,-1038.140159,4.7368,-0.23893,-0.09129,0.14764,4-Oxygenated androst-5-en-17-ones and their 7-oxo derivatives as aromatase inhibitors,J Steroid Biochem Mol Biol. 1996;58(4):431-17
39,Steroid,CC12C(C(C)=CC3C2CCC4(C)C3CCC4=O)=CC(CC1)=O,3.443697499,Inactive,298.46,0,4,0,2,3.296,34.14,0.213611875,-928.2343375,2.7604,-0.23198,-0.06448,0.1675,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-602
40,Steroid,CC12C(C(CC)=CC3C2CCC4(C)C3CCC4=O)=CC(CC1)=O,3.408935393,Inactive,312.49,1,4,0,2,3.752,34.14,0.211005784,-967.5455623,2.7489,-0.23117,-0.06515,0.16602,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-603
41,Steroid,CC12C(C(CCC)=CC3C2CCC4(C)C3CCC4=O)=CC(CC1)=O,3.501689446,Inactive,326.52,2,4,0,2,4.208,34.14,0.209228037,-1006.859104,2.8604,-0.23123,-0.06302,0.16821,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-604
42,Steroid,CC12C(C(CCCC)=CC3C2CCC4(C)C3CCC4=O)=CC(CC1)=O,3.576754126,Inactive,340.55,3,4,0,2,4.664,34.14,0.20739207,-1046.171336,2.8899,-0.23108,-0.06278,0.1683,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-605
43,Steroid,CC12C(C(CCCCC)=CC3C2CCC4(C)C3CCC4=O)=CC(CC1)=O,3.657577319,Inactive,354.58,4,4,0,2,5.12,34.14,0.205965667,-1085.481251,2.8842,-0.23088,-0.06259,0.16829,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-606
44,Steroid,CC12C(C(CCCCCC)=CC3C2CCC4(C)C3CCC4=O)=CC(CC1)=O,3.698970004,Inactive,368.61,5,4,0,2,5.577,34.14,0.20474073,-1124.79079,2.8449,-0.23103,-0.06272,0.16831,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-607
45,Steroid,CC12C(C(CCCCCCC)=CC3C2CCC4(C)C3CCC4=O)=CC(CC1)=O,3.366531544,Inactive,382.64,6,4,0,2,6.033,34.14,0.20257097,-1164.108691,2.8889,-0.23117,-0.06262,0.16855,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-608
46,Steroid,CC12C(C(C)=CC3C2CCC4(C)C3CCC4=O)=CC(C=C1)=O,3.13076828,Inactive,296.44,0,4,0,2,3.272,34.14,0.208818152,-927.0087622,3.5819,-0.23383,-0.06672,0.16711,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-609
47,Steroid,CC12C(C(CC)=CC3C2CCC4(C)C3CCC4=O)=CC(C=C1)=O,4.37675071,Inactive,310.47,1,4,0,2,3.729,34.14,0.206468245,-966.3208649,3.6395,-0.234,-0.06642,0.16758,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-610
48,Steroid,CC12C(C(CCC)=CC3C2CCC4(C)C3CCC4=O)=CC(C=C1)=O,4,Inactive,324.5,2,4,0,2,4.185,34.14,0.204699519,-1005.633869,3.7096,-0.23301,-0.06516,0.16785,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-611
49,Steroid,CC12C(C(CCCC)=CC3C2CCC4(C)C3CCC4=O)=CC(C=C1)=O,3.602059991,Inactive,338.53,3,4,0,2,4.641,34.14,0.203059109,-1044.946211,3.7241,-0.23283,-0.06493,0.1679,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-612
50,Steroid,CC12C(C(CCCCC)=CC3C2CCC4(C)C3CCC4=O)=CC(C=C1)=O,3.853871964,Inactive,352.56,4,4,0,2,5.097,34.14,0.201621328,-1084.255819,3.7383,-0.2328,-0.06483,0.16797,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-613
51,Steroid,CC12C(C(CCCCCC)=CC3C2CCC4(C)C3CCC4=O)=CC(C=C1)=O,3.809668302,Inactive,366.59,5,4,0,2,5.553,34.14,0.200771033,-1123.565612,3.6753,-0.23281,-0.0649,0.16791,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-614
52,Steroid,CC12C(C(CCCCCCC)=CC3C2CCC4(C)C3CCC4=O)=CC(C=C1)=O,3.638272164,Inactive,380.62,6,4,0,2,6.01,34.14,0.197689281,-1162.889755,3.6375,-0.23319,-0.06599,0.1672,"6-Alkylandrosta-4,6-diene-3,17-diones and their 1,4,6-triene analogs as aromatase inhibitors. Structure-activity relationships",Steroids. 1997;62(8-9):595-615
53,Steroid,C[C@@]12C(CCC2=O)C3C[C@@H]4C5=CC(CC[C@]5(CO4)C3CC1)=O,4.356547324,Inactive,300.43,0,5,0,3,1.868,43.37,0.20823563,-964.1026761,1.9339,-0.23681,-0.05416,0.18265,"6beta,19-Bridged androstenedione analogs as aromatase inhibitors",Steroids. 2009;74(12):884-9
57,Non-Steroid,O=C1C=COC2=C(CN3C=NC=C3)C=CC(C#N)=C21,6.619788758,Active,251.26,2,3,0,4,0.944,71.82,0.217811071,-853.5712841,6.7331,-0.23983,-0.08895,0.15088,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-80
58,Non-Steroid,O=C1C=COC2=C(CN3C=NC=C3)C=CC([N+]([O-])=O)=C21,5.958607315,Inactive,271.25,3,3,0,5,0.959,93.85,0.227277276,-965.8188732,6.3324,-0.23983,-0.0879,0.15193,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-81
59,Non-Steroid,BrC1=C2C(OC=CC2=O)=C(CN3C=NC=C3)C=C1,5.677780705,Inactive,305.14,2,3,0,3,1.813,48.03,0.196813296,-3332.432014,3.9472,-0.23339,-0.06911,0.16428,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-82
60,Non-Steroid,O=C1C2=C(C=CC=C2)OC3=C(CN4C=NC=C4)C=CC(C#N)=C31,7.366531544,Active,301.32,2,4,0,4,2.52,71.82,0.207112235,-1007.229108,7.0319,-0.23748,-0.0929,0.14458,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-83
61,Non-Steroid,O=C1C2=C(C=CC=C2)OC3=C(CN4C=NC=C4)C=CC([N+]([O-])=O)=C31,7.397940009,Active,321.31,3,4,0,5,2.535,93.85,0.215336343,-1119.476756,6.6374,-0.23741,-0.09182,0.14559,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-84
62,Non-Steroid,O=C1C2=C(C=CC=C2)OC3=C(CN4C=NC=C4)C=CC(Br)=C31,7.050609993,Active,355.2,2,4,0,3,3.389,48.03,0.189524424,-3486.089492,4.4184,-0.23125,-0.07737,0.15388,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-85
63,Non-Steroid,O=C1C2=C(C=CC=C2)OC3=C(C#N)C=CC(CN4C=NC=C4)=C31,5.638272164,Inactive,301.32,2,4,0,4,2.52,71.82,0.209511294,-1007.230107,4.5532,-0.21942,-0.09823,0.12119,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-86
64,Non-Steroid,O=C1C2=C(C=CC=C2)OC3=C([N+]([O-])=O)C=CC(CN4C=NC=C4)=C31,6.013228266,Active,321.31,3,4,0,5,2.535,93.85,0.218942886,-1119.478281,4.7357,-0.22023,-0.10633,0.1139,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-87
65,Non-Steroid,O=C1C2=C(C=CC=C2)OC3=C(Br)C=CC(CN4C=NC=C4)=C31,6.026872146,Active,355.2,2,4,0,3,3.389,48.03,0.192697697,-3486.091966,4.9816,-0.21297,-0.08365,0.12932,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-88
66,Non-Steroid,O=C1C=COC2=CC(CN3C=NC=C3)=CC=C21,7,Active,226.25,2,3,0,3,1.065,48.03,0.213454222,-761.3376919,5.4168,-0.22878,-0.0635,0.16528,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-89
67,Non-Steroid,O=C1C=COC2=CC(CN3C=NN=C3)=CC=C21,5.431798276,Inactive,227.24,2,3,0,4,0.541,60.92,0.232724115,-777.3607627,7.1874,-0.25387,-0.06945,0.18442,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-90
68,Non-Steroid,O=C1C2=C(C=CC=C2)OC3=CC(CN4C=NC=C4)=CC=C31,6.408935393,Active,276.31,2,4,0,3,2.641,48.03,0.203960909,-914.9951135,5.5119,-0.22736,-0.07261,0.15475,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-91
70,Non-Steroid,O=C1C(CN2C=NC=C2)=C(C3=CC=CC=C3)OC4=CC(OC)=CC=C41,6.259637311,Active,332.38,4,4,0,4,2.757,57.26,0.205101098,-1106.921141,6.64,-0.20649,-0.06416,0.14233,"A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase",J Med Chem. 2001 Mar 1;44(5):672-92
72,Steroid,O=C1CCC2C3[C@H](OC(C)=O)C(C4=CC(CCC4(C)C3CCC21C)=O)=O,5.27572413,Inactive,358.47,2,4,0,5,1.918,77.51,0.240634885,-1192.015295,3.492,-0.24394,-0.09682,0.14712,"A- or B-ring-substituted derivatives of androst-4-ene-3,6,17-trione as aromatase inhibitors. Structure-activity relationships",Steroids. 1994;59(10):579-85
73,Steroid,O=C1CCC2C3[C@H](O)C(C4=CC(CCC4(C)C3CCC21C)=O)=O,4.958607315,Inactive,316.43,0,4,1,4,1.539,71.44,0.231804255,-1039.352247,3.5669,-0.23888,-0.10375,0.13513,"A- or B-ring-substituted derivatives of androst-4-ene-3,6,17-trione as aromatase inhibitors. Structure-activity relationships",Steroids. 1994;59(10):579-86
74,Steroid,O=C1CCC2C3CC(C4=CC(C(C)(C)CC4(C)C3CCC21C)=O)=O,6.522878745,Active,328.49,0,4,0,3,3.032,51.21,0.219250615,-1042.764415,4.3997,-0.23954,-0.08785,0.15169,"A- or B-ring-substituted derivatives of androst-4-ene-3,6,17-trione as aromatase inhibitors. Structure-activity relationships",Steroids. 1994;59(10):579-87
75,Steroid,O=C1CCC2C3CC(C4=C(OC)C(C(C)(C)CC4(C)C3CCC21C)=O)=O,5.721246399,Inactive,358.52,1,4,0,4,2.533,60.44,0.220366411,-1157.27566,4.0065,-0.23589,-0.06683,0.16906,"A- or B-ring-substituted derivatives of androst-4-ene-3,6,17-trione as aromatase inhibitors. Structure-activity relationships",Steroids. 1994;59(10):579-88
76,Steroid,O=C1CCC2C3CC(C4=C(O)C(C(C)(C)CC4(C)C3CCC21C)=O)=O,6.356547324,Active,344.49,0,4,1,4,2.469,71.44,0.230580396,-1117.985188,3.1177,-0.23194,-0.08505,0.14689,"A- or B-ring-substituted derivatives of androst-4-ene-3,6,17-trione as aromatase inhibitors. Structure-activity relationships",Steroids. 1994;59(10):579-89
77,Steroid,O=C1CCC2C3CC(C4=CC(C(O)=CC4(C)C3CCC21C)=O)=O,5.251811973,Inactive,314.41,0,4,1,4,1.566,71.44,0.2359588,-1038.129553,7.2091,-0.24305,-0.08952,0.15353,"A- or B-ring-substituted derivatives of androst-4-ene-3,6,17-trione as aromatase inhibitors. Structure-activity relationships",Steroids. 1994;59(10):579-90
79,Steroid,O=C1CCC2C3CC(C4=CC([C@H](OC(C)=O)CC4(C)C3CCC21C)=O)=O,4.468521083,Inactive,358.47,2,4,0,5,1.851,77.51,0.239237981,-1192.017126,5.5214,-0.2461,-0.09403,0.15207,"A- or B-ring-substituted derivatives of androst-4-ene-3,6,17-trione as aromatase inhibitors. Structure-activity relationships",Steroids. 1994;59(10):579-91
81,Steroid,O=C1CCC2C3CC(C4=C(OC)C(CCC4(C)C3CCC21C)=O)=O,5.698970004,Inactive,330.46,1,4,0,4,1.654,60.44,0.2233456,-1078.652092,4.4379,-0.23824,-0.07202,0.16622,"A- or B-ring-substituted derivatives of androst-4-ene-3,6,17-trione as aromatase inhibitors. Structure-activity relationships",Steroids. 1994;59(10):579-92
82,Steroid,O=C1CCC2C3CC(C4=C(OCC)C(CCC4(C)C3CCC21C)=O)=O,5.346787486,Inactive,344.49,2,4,0,4,2.003,60.44,0.221660113,-1117.971792,4.2125,-0.23694,-0.07102,0.16592,"A- or B-ring-substituted derivatives of androst-4-ene-3,6,17-trione as aromatase inhibitors. Structure-activity relationships",Steroids. 1994;59(10):579-93
83,Steroid,O=C1CCC2C3CC(C4=C(O)C(CCC4(C)C3CCC21C)=O)=O,6.337242168,Active,316.43,0,4,1,4,1.589,71.44,0.23608817,-1039.362653,3.2756,-0.23414,-0.08451,0.14963,"A- or B-ring-substituted derivatives of androst-4-ene-3,6,17-trione as aromatase inhibitors. Structure-activity relationships",Steroids. 1994;59(10):579-94
85,Steroid,O=C1CCC2C3C(C)C4=CC(CCC4(C)C3CCC21C)=O,6.562249437,Active,286.45,0,4,0,2,3.089,34.14,0.21331566,-890.1276448,2.3291,-0.2317,-0.04493,0.18677,An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors,Eur J Med Chem. 2009;44(10):4121-7
86,Non-Steroid,CC12C(CCC2=O)C3C(C)C(OC4(C)C3CC1)=CC(CC4)=O,5.008773924,Inactive,302.45,0,4,0,3,2.297,43.37,0.233202375,-965.324832,3.8818,-0.23342,-0.04354,0.18988,An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors,Eur J Med Chem. 2009;44(10):4121-8
87,Non-Steroid,CC(OC1=CC=C(C(/C(CC)=C2SC(C=C/2)=O)CC)C=C1)=O,4.809668302,Inactive,316.45,6,2,0,3,4.465,71.61,0.229497357,-1321.81779,6.0323,-0.22568,-0.0774,0.14828,An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors,Eur J Med Chem. 2009;44(10):4121-9
90,Non-Steroid,CC1C(C)(CCC2=CC(OC2)=O)C3CCC=C4C3(COC4=O)CC1O,3.899629455,Inactive,346.46,3,4,1,5,2.63,72.83,0.228812961,-1153.865907,7.1258,-0.25722,-0.04601,0.21121,An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors,Eur J Med Chem. 2009;44(10):4121-10
91,Non-Steroid,CC1=C(C#N)C=C(C2=N1)C(NC3=CC=C(Cl)C=C3)OC4=C2C=C([N+]([O-])=O)C=C4,6.168770306,Active,392.82,3,4,1,6,4.741,103.76,0.22047978,-1674.616193,0.8725,-0.22415,-0.09126,0.13289,An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors,Eur J Med Chem. 2009;44(10):4121-11
92,Non-Steroid,CCCC(OC1=CC(OC(CCC)=O)=CC2=C1C(C)=CC(O2)=O)=O,3.754487332,Inactive,332.38,8,2,0,6,4.128,82.81,0.285724727,-1149.345993,6.7146,-0.23497,-0.06601,0.16896,An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors,Eur J Med Chem. 2009;44(10):4121-12
94,Non-Steroid,O=C1NC(CCC1(CC)C2=CC=NC=C2)=O,5,Inactive,218.28,2,2,1,4,0.881,59.06,0.2574193,-725.6871887,2.8394,-0.25592,-0.04013,0.21579,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-4
95,Non-Steroid,O=C1NC(CCC1(CC)C2=CC=C(N)C=C2)=O,5.096910013,Inactive,232.31,2,2,3,4,1.285,72.19,0.280323364,-765.0073915,4.8141,-0.20616,-0.02447,0.18169,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-5
96,Non-Steroid,O=C(CCC(C)1C2=CC=NC=C2)NC1=O,3.610833916,Inactive,204.25,1,2,1,4,0.425,59.06,0.266011074,-686.3752002,3.1001,-0.25734,-0.0385,0.21884,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-6
97,Non-Steroid,O=C(CCC(CCC)1C2=CC=NC=C2)NC1=O,5.22184875,Inactive,232.31,3,2,1,4,1.337,59.06,0.249797788,-765.0007871,2.7786,-0.25568,-0.04002,0.21566,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-7
98,Non-Steroid,O=C(CCC(CCCC)1C2=CC=NC=C2)NC1=O,5.397940009,Inactive,246.34,4,2,1,4,1.794,59.06,0.243809472,-804.313076,2.8042,-0.25546,-0.03992,0.21554,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-8
99,Non-Steroid,O=C(CCC(CCCCC)1C2=CC=NC=C2)NC1=O,5.602059991,Inactive,260.37,5,2,1,4,2.25,59.06,0.239266077,-843.6238912,3.5678,-0.25666,-0.03613,0.22053,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-9
100,Non-Steroid,O=C(CCC(CCCCCC)1C2=CC=NC=C2)NC1=O,5.443697499,Inactive,274.4,6,2,1,4,2.706,59.06,0.234772952,-882.9336201,3.636,-0.25655,-0.03603,0.22052,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-10
101,Non-Steroid,O=C(CCC(CCCCCCC)1C2=CC=NC=C2)NC1=O,5.494850022,Inactive,288.43,7,2,1,4,3.162,59.06,0.229740289,-922.2489737,2.9075,-0.25521,-0.03975,0.21546,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-11
102,Non-Steroid,O=C(CCC(CCCCCCCC)1C2=CC=NC=C2)NC1=O,6.48148606,Active,302.46,8,2,1,4,3.618,59.06,0.226230583,-961.5524047,3.4013,-0.25444,-0.0404,0.21404,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-12
103,Non-Steroid,O=C(CCC(CCCCCCCCC)1C2=CC=NC=C2)NC1=O,5.619788758,Inactive,316.49,9,2,1,4,4.075,59.06,0.22272851,-1000.877848,2.7263,-0.25546,-0.03958,0.21588,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-13
104,Non-Steroid,O=C1N(C(CCC1(C2=CC=NC=C2)CC)=O)C,4.522878745,Inactive,232.31,2,2,0,4,1.087,50.27,0.245089242,-764.9971512,2.5124,-0.25447,-0.03717,0.2173,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-14
105,Non-Steroid,O=C1N(CC)C(CCC1(CC)C2=CC=NC=C2)=O,3.41453927,Inactive,246.34,3,2,0,4,1.436,50.27,0.240547,-804.3135474,2.4426,-0.25415,-0.03674,0.21741,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-15
106,Non-Steroid,O=C1N(CCC)C(CCC1(CC)C2=CC=NC=C2)=O,4.508638306,Inactive,260.37,4,2,0,4,1.96,50.27,0.235410846,-843.6274828,2.4858,-0.25412,-0.0364,0.21772,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-16
107,Non-Steroid,O=C1N(CCCC)C(CCC1(CC)C2=CC=NC=C2)=O,4.397940009,Inactive,274.4,5,2,0,4,2.416,50.27,0.231040333,-882.9397258,2.4533,-0.25387,-0.03618,0.21769,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-17
108,Non-Steroid,O=C1N(CCCCC)C(CCC1(CC)C2=CC=NC=C2)=O,4.677780705,Inactive,288.43,6,2,0,4,2.872,50.27,0.227531156,-922.2497754,2.4873,-0.25382,-0.03621,0.21761,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-18
109,Non-Steroid,O=C1N(CCCCCC)C(CCC1(CC)C2=CC=NC=C2)=O,5.180456064,Inactive,302.46,7,2,0,4,3.328,50.27,0.224869938,-961.5632344,2.6638,-0.25506,-0.03296,0.2221,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-19
110,Non-Steroid,O=C1N(CCCCCCC)C(CCC1(CC)C2=CC=NC=C2)=O,5.823908741,Inactive,316.49,8,2,0,4,3.784,50.27,0.222877961,-1000.872776,2.7854,-0.25592,-0.03601,0.21991,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-20
111,Non-Steroid,O=C1N(CCCCCCCC)C(CCC1(CC)C2=CC=NC=C2)=O,6.096910013,Active,330.52,9,2,0,4,4.241,50.27,0.214958019,-1040.149336,3.8516,-0.23229,-0.02709,0.2052,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-21
112,Non-Steroid,O=C1N(CCCCCCCCC)C(CCC1(CC)C2=CC=NC=C2)=O,5.522878745,Inactive,344.55,10,2,0,4,4.697,50.27,0.21468893,-1079.451164,1.8411,-0.23688,-0.02596,0.21092,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-22
113,Non-Steroid,O=C1N(CCCCCCCCCC)C(CCC1(CC)C2=CC=NC=C2)=O,5,Inactive,358.58,11,2,0,4,5.153,50.27,0.21309755,-1118.789376,2.8197,-0.23296,-0.03514,0.19782,"Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substituents",J Med Chem. 1987;30(9):1550-23
114,Steroid,O=C1CCC2C3C(C=C4CCCCC4(C)C3CCC21C)=O,5.091514981,Inactive,286.45,0,4,0,2,3.504,34.14,0.210451511,-890.1338648,4.8893,-0.22818,-0.04952,0.17866,"Androst-5-ene-7,17-dione: a novel class of suicide substrate of aromatase",Biochem Biophys Res Commun. 1992;186(1):32-9
115,Steroid,CC12C(CCC2=O)C3C(C=C4CCCCC4(CO)C3CC1)=O,3.869666232,Inactive,302.45,1,4,1,3,2.414,54.37,0.216872042,-965.3333534,6.6756,-0.22195,-0.04328,0.17867,"Androst-5-ene-7,17-dione: a novel class of suicide substrate of aromatase",Biochem Biophys Res Commun. 1992;186(1):32-10
116,Steroid,CC12C(C3CCC4=CC([C@H](C)CC4(C3CC2)C)=O)CCC1=O,6.337242168,Active,300.48,0,4,0,2,3.756,34.14,0.21064836,-929.432138,4.7954,-0.22993,-0.0451,0.18483,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-9
117,Steroid,CC12C(C3CCC4=CC([C@H](CC)CC4(C3CC2)C)=O)CCC1=O,6.318758763,Active,314.51,1,4,0,2,4.213,34.14,0.20863734,-968.7444165,4.8371,-0.22993,-0.04551,0.18442,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-10
118,Steroid,CC12C(C3CCC4=CC([C@H](CCC)CC4(C3CC2)C)=O)CCC1=O,5.835647144,Inactive,328.54,2,4,0,2,4.669,34.14,0.2065545,-1008.058277,4.8657,-0.23011,-0.04564,0.18447,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-11
119,Steroid,CC12C(C3CCC4=CC([C@H](CCCC)CC4(C3CC2)C)=O)CCC1=O,5.714442691,Inactive,342.57,3,4,0,2,5.125,34.14,0.204829898,-1047.370582,4.8424,-0.22987,-0.04553,0.18434,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-12
120,Steroid,CC12C(C3CCC4=CC([C@H](CCCCC)CC4(C3CC2)C)=O)CCC1=O,5.89279003,Inactive,356.6,4,4,0,2,5.581,34.14,0.203943177,-1086.681522,5.0633,-0.2322,-0.04711,0.18509,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-13
121,Steroid,CC12C(C3CCC4=CC([C@H](CCCCCC)CC4(C3CC2)C)=O)CCC1=O,4.982966661,Inactive,370.63,5,4,0,2,6.037,34.14,0.202734077,-1125.99086,5.1427,-0.2324,-0.04755,0.18485,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-14
123,Steroid,CC12C(C3CCC4=CC(C(C)=CC4(C3CC2)C)=O)CCC1=O,6.259637311,Active,298.46,0,4,0,2,3.717,34.14,0.210283375,-928.2227464,3.9473,-0.23336,-0.05536,0.178,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-15
124,Steroid,CC12C(C3CCC4=CC(C(CC)=CC4(C3CC2)C)=O)CCC1=O,6.017728767,Active,312.49,1,4,0,2,4.173,34.14,0.208481275,-967.5359858,3.9727,-0.23337,-0.05635,0.17702,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-16
125,Steroid,CC12C(C3CCC4=CC(C(CCC)=CC4(C3CC2)C)=O)CCC1=O,5.756961951,Inactive,326.52,2,4,0,2,4.629,34.14,0.206436667,-1006.848882,3.7712,-0.23233,-0.05431,0.17802,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-17
126,Steroid,CC12C(C3CCC4=CC(C(CCCC)=CC4(C3CC2)C)=O)CCC1=O,5.735182177,Inactive,340.55,3,4,0,2,5.086,34.14,0.204853895,-1046.161317,3.6996,-0.23221,-0.05416,0.17805,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-18
127,Steroid,CC12C(C3CCC4=CC(C(CCCCC)=CC4(C3CC2)C)=O)CCC1=O,6.129011186,Active,354.58,4,4,0,2,5.542,34.14,0.203527817,-1085.470968,3.7349,-0.23236,-0.05429,0.17807,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-19
128,Steroid,CC12C(C3CCC4=CC(C(CCCCCC)=CC4(C3CC2)C)=O)CCC1=O,6.525783736,Active,368.61,5,4,0,2,5.998,34.14,0.202278968,-1124.780567,3.6245,-0.23217,-0.05411,0.17806,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-20
129,Steroid,CC12C(C3CCC4=CC(C(CCCCCCC)=CC4(C3CC2)C)=O)CCC1=O,6.218244625,Active,382.64,6,4,0,2,6.454,34.14,0.200502045,-1164.097158,3.6594,-0.23215,-0.05405,0.1781,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-21
130,Steroid,C[C@]12C(C3CCC4=CC(C(OC)=C[C@@]4(C3CC2)C)=O)CCC1=O,5.958607315,Inactive,314.46,1,4,0,3,2.772,43.37,0.217046061,-1003.411605,2.9221,-0.22879,-0.05992,0.16887,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-22
131,Steroid,C[C@]12C(C3CCC4=CC(C(OCC)=C[C@@]4(C3CC2)C)=O)CCC1=O,4.754487332,Inactive,328.49,2,4,0,3,3.121,43.37,0.215398577,-1042.731119,2.8245,-0.229,-0.05935,0.16965,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-23
132,Steroid,C[C@]12C(C3CCC4=CC(C(OCCCC)=C[C@@]4(C3CC2)C)=O)CCC1=O,4.528708289,Inactive,356.55,4,4,0,3,4.101,43.37,0.210763828,-1121.356312,2.9861,-0.23064,-0.06001,0.17063,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-24
134,Steroid,O=C1CCC(C2CCC3=C4)C1(C)CCC2C3(C)C=C(Br)C4=O,5.735182177,Inactive,363.32,0,4,0,2,3.723,34.14,0.203369756,-3460.00987,7.3193,-0.24192,-0.06667,0.17525,"Aromatase inactivation by 2-substituted derivatives of the suicide substrate androsta-1,4-diene-3,17-dione",J Steroid Biochem Mol Biol. 2009;116(3-5):191-25
135,Steroid,C[C@@]12C(CCC2=O)C3CCC4=CC([C@@H]5C[C@]4(COC5)C3CC1)=O,7.920818754,Active,314.46,0,5,0,3,2.341,43.37,0.202125939,-1003.422749,2.8461,-0.23451,-0.0511,0.18341,Binding characteristics of aromatase inhibitors and phytoestrogens to human aromatase,J Steroid Biochem Mol Biol. 1997;61(3-6):107-15
136,Steroid,C[C@@]12C(CCC3C2CC[C@@]4(C)C3CCC4=O)=C(O)C(CC1)=O,7.22184875,Active,302.45,0,4,1,3,2.731,54.37,0.224496958,-965.3585778,1.6072,-0.22157,-0.05289,0.16868,Binding characteristics of aromatase inhibitors and phytoestrogens to human aromatase,J Steroid Biochem Mol Biol. 1997;61(3-6):107-16
137,Steroid,C[C@@]12C(CCCC2=O)C3[C@H](SC4=CC=C(N)C=C4)CC5=CC(C=C[C@]5(C)C3CC1)=O,6.772113295,Active,421.65,2,5,2,3,4.541,85.46,0.21098223,-1612.793501,6.2183,-0.20807,-0.05347,0.1546,Binding characteristics of aromatase inhibitors and phytoestrogens to human aromatase,J Steroid Biochem Mol Biol. 1997;61(3-6):107-17
138,Non-Steroid,O=C([C@@](CC1)(CC)C2=CC=C(N)C=C2)NC1=O,5.259637311,Inactive,232.31,2,2,3,4,1.285,72.19,0.27968097,-765.0034968,3.5406,-0.20169,-0.02522,0.17647,Binding characteristics of aromatase inhibitors and phytoestrogens to human aromatase,J Steroid Biochem Mol Biol. 1997;61(3-6):107-18
139,Non-Steroid,CC(C)(C#N)C1=CC(CN2N=CN=C2)=CC(C(C)(C#N)C)=C1,7.568636236,Active,293.41,4,2,0,4,2.966,78.29,0.23153822,-932.9716506,5.1303,-0.26492,-0.03608,0.22884,Binding characteristics of aromatase inhibitors and phytoestrogens to human aromatase,J Steroid Biochem Mol Biol. 1997;61(3-6):107-19
140,Non-Steroid,N#CC1=CC=C(C(C2=CC=C(C#N)C=C2)N3N=CN=C3)C=C1,8.853871964,Active,285.33,3,3,0,4,2.749,78.29,0.198560091,-928.1459025,2.5939,-0.27305,-0.07828,0.19477,Binding characteristics of aromatase inhibitors and phytoestrogens to human aromatase,J Steroid Biochem Mol Biol. 1997;61(3-6):107-20
141,Non-Steroid,ClC(C=C1)=CC=C1C(N2N=CN=C2)C3=CC(N(C)N=N4)=C4C=C3,9.045757491,Active,324.8,3,4,0,4,3.467,61.42,0.192008889,-1406.191733,3.3158,-0.25002,-0.06127,0.18875,Binding characteristics of aromatase inhibitors and phytoestrogens to human aromatase,J Steroid Biochem Mol Biol. 1997;61(3-6):107-21
142,Non-Steroid,O=C(C=C(C1=CC=CC=C1)O2)C3=C2C=C(O)C=C3O,4.958607315,Inactive,254.25,1,3,2,4,2.602,70.67,0.270056586,-878.522087,3.668,-0.22078,-0.06925,0.15153,Binding characteristics of aromatase inhibitors and phytoestrogens to human aromatase,J Steroid Biochem Mol Biol. 1997;61(3-6):107-22
143,Non-Steroid,O=C(C=C(C1=CC=CC=C1)O2)C3=C2C(O)=C(O)C=C3,4.259637311,Inactive,254.25,1,3,2,4,2.602,70.67,0.259431172,-878.5003565,4.0774,-0.21799,-0.0605,0.15749,Binding characteristics of aromatase inhibitors and phytoestrogens to human aromatase,J Steroid Biochem Mol Biol. 1997;61(3-6):107-23
144,Non-Steroid,[H]C1=C([H])C=CC(C(OC2=CC([H])=CC([H])=C23)=CC3=O)=C1,4.311580178,Inactive,222.25,1,3,0,2,3.137,30.21,0.197197926,-728.0713413,4.1954,-0.23325,-0.06582,0.16743,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-61
145,Non-Steroid,[H]C1=C([H])C=CC(C(OC2=CC(O)=CC([H])=C23)=CC3=O)=C1,6.698970004,Active,238.25,1,3,1,3,2.869,50.44,0.235791893,-803.2888059,3.2273,-0.23181,-0.06281,0.169,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-62
146,Non-Steroid,[H]C1=C(O)C=CC(C(OC2=CC(O)=CC(O)=C23)=CC3=O)=C1,5.537602002,Inactive,270.25,1,3,3,5,2.334,90.9,0.303465567,-953.7398156,5.0463,-0.21714,-0.06368,0.15346,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-63
147,Non-Steroid,OC1=C(O)C=CC(C(OC2=CC(O)=CC(O)=C23)=CC3=O)=C1,5.920818754,Inactive,286.25,1,3,4,6,2.067,111.13,0.328207452,-1028.949983,3.8405,-0.21595,-0.06438,0.15157,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-64
148,Non-Steroid,O=C(C1)C2=C([H])C=C([H])C=C2OC1C3=CC([H])=C([H])C=C3,4.860120914,Inactive,224.27,1,3,0,2,3.1,26.3,0.188678793,-729.2749941,2.5211,-0.2326,-0.05641,0.17619,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-65
149,Non-Steroid,O=C(C1)C2=C([H])C=C(O)C=C2OC1C3=CC([H])=C([H])C=C3,5.619788758,Inactive,240.27,1,3,1,3,2.833,46.53,0.225177867,-804.4936726,1.839,-0.22977,-0.04787,0.1819,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-66
150,Non-Steroid,O=C(C1)C2=C(O)C=C(O)C=C2OC1C3=CC([H])=C(O)C=C3,5.036212173,Inactive,272.27,1,3,3,5,2.298,86.99,0.289203219,-954.9423655,2.5914,-0.22186,-0.05263,0.16923,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-67
151,Non-Steroid,O=C(C1)C2=C(O)C=C(O)C=C2OC1C3=CC(O)=C(O)C=C3,6.22184875,Active,288.27,1,3,4,6,2.03,107.22,0.315623758,-1030.159131,3.9638,-0.21518,-0.05157,0.16361,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-68
152,Non-Steroid,O=C(C1)C2=C(O)C=C(O)C=C2OC1C3=CC(O)=C(OC)C=C3,5.48148606,Inactive,302.3,2,3,3,6,2.281,96.22,0.29487425,-1069.466554,4.3583,-0.21167,-0.05071,0.16096,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-69
154,Non-Steroid,[H]C1=CC(O)=CC([H])=C1C(/C=C/C2=CC([H])=C([H])C=C2)=O,4.514278574,Inactive,224.27,3,2,1,2,3.435,37.3,0.203089448,-729.2521033,4.9237,-0.22847,-0.06816,0.16031,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-70
159,Non-Steroid,OC1=CC(OC)=CC(O)=C1C(/C=C/C2=CC([H])=C([H])C=C2)=O,4.844663963,Inactive,270.3,4,2,2,4,3.151,66.76,0.250427059,-919.0039675,5.2695,-0.21211,-0.07886,0.13325,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-71
160,Non-Steroid,[H]C1=CC(O)=CC(O)=C1C(/C=C/C2=CC([H])=C(O)C=C2)=O,4.460923901,Inactive,256.27,3,2,3,4,2.9,77.76,0.26771471,-879.6869175,4.7419,-0.2187,-0.07036,0.14834,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-72
161,Non-Steroid,OC1=CC(O)=CC(O)=C1C(/C=C/C2=CC([H])=C(O)C=C2)=O,5.585026652,Inactive,272.27,3,2,4,5,2.632,97.99,0.29929525,-954.9155943,5.974,-0.21333,-0.07552,0.13781,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-73
162,Non-Steroid,OC1=CC(O)=CC(O)=C1C(/C=C/C2=CC(O)=C(O)C=C2)=O,5.552841969,Inactive,288.27,3,2,5,6,2.365,118.22,0.325242545,-1030.131771,7.0576,-0.21263,-0.07469,0.13794,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-74
163,Non-Steroid,OC1=CC(O)=CC(O)=C1C(/C=C/C2=CC(O)=C(OC)C=C2)=O,4.616184634,Inactive,302.3,4,2,4,6,2.616,107.22,0.304112528,-1069.439312,7.6916,-0.21171,-0.07356,0.13815,Chalcones are potent inhibitors of aromatase and 17beta-hydroxysteroid dehydrogenase activities,Life Sci. 2001;68(7):751-75
164,Non-Steroid,O=C(N1)CC[C@@](C2=CC=NC=C2)(C)C1=O,3.610833916,Inactive,204.25,1,2,1,4,0.425,59.06,0.265953148,-686.3752333,3.0963,-0.2573,-0.03852,0.21878,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-9
165,Non-Steroid,O=C(N1)CC[C@@](C2=CC=NC=C2)(CC)C1=O,5,Inactive,218.28,2,2,1,4,0.881,59.06,0.257261167,-725.682727,3.3783,-0.25752,-0.0386,0.21892,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-10
166,Non-Steroid,O=C(N1)CC[C@@](C2=CC=NC=C2)(CCC)C1=O,5.22184875,Inactive,232.31,3,2,1,4,1.337,59.06,0.249750606,-765.0007625,2.7943,-0.25579,-0.03999,0.2158,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-11
167,Non-Steroid,O=C(N1)CC[C@@](C2=CC=NC=C2)(CCCC)C1=O,5.397940009,Inactive,246.34,4,2,1,4,1.794,59.06,0.243631167,-804.313044,2.8322,-0.25555,-0.03973,0.21582,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-12
168,Non-Steroid,O=C(N1)CC[C@@](C2=CC=NC=C2)(CCCCC)C1=O,5.602059991,Inactive,260.37,5,2,1,4,2.25,59.06,0.238453513,-843.6227315,2.8416,-0.2555,-0.03954,0.21596,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-13
169,Non-Steroid,O=C(N1)CC[C@@](C2=CC=NC=C2)(CCCCCC)C1=O,5.443697499,Inactive,274.4,6,2,1,4,2.706,59.06,0.234881952,-882.9322917,2.8448,-0.25531,-0.0397,0.21561,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-14
170,Non-Steroid,O=C(N1)CC[C@@](C2=CC=NC=C2)(CCCCCCC)C1=O,5.494850022,Inactive,288.43,7,2,1,4,3.162,59.06,0.229411,-922.2489258,2.9021,-0.25528,-0.03938,0.2159,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-15
171,Non-Steroid,O=C(N1)CC[C@@](C2=CC=NC=C2)(CCCCCCCC)C1=O,6.48148606,Active,302.46,8,2,1,4,3.618,59.06,0.227223688,-961.5569588,2.8909,-0.2526,-0.04072,0.21188,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-16
172,Non-Steroid,O=C(N1)CC[C@@](C2=CC=NC=C2)(CCCCCCCCC)C1=O,5.619788758,Inactive,316.49,9,2,1,4,4.075,59.06,0.224106804,-1000.865935,2.581,-0.25517,-0.04141,0.21376,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-17
173,Non-Steroid,O=C(N1C)CC[C@@](C2=CC=NC=C2)(CC)C1=O,4.522878745,Inactive,232.31,2,2,0,4,1.087,50.27,0.244496576,-764.9932166,3.0536,-0.25716,-0.03845,0.21871,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-18
174,Non-Steroid,O=C(N1CC)CC[C@@](C2=CC=NC=C2)(CC)C1=O,3.41453927,Inactive,246.34,3,2,0,4,1.436,50.27,0.240013417,-804.3097917,3.0128,-0.25682,-0.03826,0.21856,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-19
175,Non-Steroid,O=C(N1CCC)CC[C@@](C2=CC=NC=C2)(CC)C1=O,4.508638306,Inactive,260.37,4,2,0,4,1.96,50.27,0.234962769,-843.6236888,3.0135,-0.25663,-0.03771,0.21892,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-20
176,Non-Steroid,O=C(N1CCCC)CC[C@@](C2=CC=NC=C2)(CC)C1=O,4.397940009,Inactive,274.4,5,2,0,4,2.416,50.27,0.230618452,-882.9359238,2.9859,-0.25657,-0.03793,0.21864,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-21
177,Non-Steroid,O=C(N1CCCCC)CC[C@@](C2=CC=NC=C2)(CC)C1=O,4.677780705,Inactive,288.43,6,2,0,4,2.872,50.27,0.227376333,-922.2459509,2.9808,-0.25636,-0.03707,0.21929,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-22
178,Non-Steroid,O=C(N1CCCCCC)CC[C@@](C2=CC=NC=C2)(CC)C1=O,5.180456064,Inactive,302.46,7,2,0,4,3.328,50.27,0.224911771,-961.555868,2.976,-0.25675,-0.03824,0.21851,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-23
179,Non-Steroid,O=C(N1CCCCCCC)CC[C@@](C2=CC=NC=C2)(CC)C1=O,5.823908741,Inactive,316.49,8,2,0,4,3.784,50.27,0.221467431,-1000.871528,2.9787,-0.25686,-0.03917,0.21769,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-24
180,Non-Steroid,O=C(N1CCCCCCCC)CC[C@@](C2=CC=NC=C2)(CC)C1=O,6.096910013,Active,330.52,9,2,0,4,4.241,50.27,0.218054426,-1040.196558,2.705,-0.25809,-0.03841,0.21968,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-25
181,Non-Steroid,O=C(N1CCCCCCCCC)CC[C@@](C2=CC=NC=C2)(CC)C1=O,5.522878745,Inactive,344.55,10,2,0,4,4.697,50.27,0.215393965,-1079.497816,2.9829,-0.25395,-0.03997,0.21398,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-26
182,Non-Steroid,O=C(N1CCCCCCCCCC)CC[C@@](C2=CC=NC=C2)(CC)C1=O,5,Inactive,358.58,11,2,0,4,5.153,50.27,0.213657217,-1118.806189,2.6121,-0.25449,-0.03951,0.21498,"Crystallographic and molecular modeling studies on 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione and its butyl analogue, inhibitors of mammalian aromatase. Comparison with natural substrates: prediction of enantioselectivity for N-alkyl derivatives",J Med Chem. 1990;33(9):2673-27
183,Non-Steroid,O=C1C(CC2=CC=NC=C2)=C(N)C3=CC(OC)=CC=C31,5.455931956,Inactive,266.32,3,3,2,4,1.443,65.21,0.233568706,-878.0696265,6.6961,-0.20449,-0.06697,0.13752,Design and synthesis of a new type of non steroidal human aromatase inhibitors,Bioorg Med Chem Lett. 1998;8(9):1041-4
184,Non-Steroid,O=C(C1=CC=CC=C1C/2C3=CC=CC=C3)C2=C/C4=CC=NC=C4,6.096910013,Active,297.37,2,4,0,2,3.94,29.96,0.172963184,-939.236668,5.4383,-0.23922,-0.09006,0.14916,Design and synthesis of a new type of non steroidal human aromatase inhibitors,Bioorg Med Chem Lett. 1998;8(9):1041-4
186,Non-Steroid,CC1=NC2=C(C=N1)C(N3C=CN=C3)C4=CC=CC=C42,5.55,Inactive,248.31,1,4,0,3,1.413,43.6,0.200728774,-797.8325719,3.6258,-0.22824,-0.065,0.16324,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-803
187,Non-Steroid,O=C1C2=CC=CC=C2C3=C1C=C(CN4C=CN=C4)N=N3,4.57,Inactive,262.29,2,4,0,4,1.838,60.67,0.199653467,-871.8043173,4.3501,-0.23056,-0.11039,0.12017,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-804
188,Non-Steroid,[H]C1(N2C=CN=C2)C3=CC=CC=C3C4=C1C=CC=C4,5.55,Inactive,232.3,1,4,0,1,2.807,17.82,0.153213467,-726.4346139,4.0836,-0.22065,-0.04164,0.17901,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-805
189,Non-Steroid,C12=CC=CC=C1C3=C(C=CC=C3)C2(N4C=CN=C4)C5=CC=CC=C5,7.13,Active,308.4,2,5,0,1,4.247,17.82,0.147460475,-957.4771752,4.2701,-0.21594,-0.04326,0.17268,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-806
190,Non-Steroid,C12=CC=CC=C1C3=C(C=CC=C3)C2(N4N=CN=C4)C5=CC=CC=C5,5.4,Inactive,309.39,2,5,0,2,4.12,30.71,0.155576718,-973.5164622,3.4091,-0.22452,-0.0437,0.18082,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-807
191,Non-Steroid,O=C1OC2=CC(OC)=CC=C2C=C1CN3C=CN=C3,5.55,Inactive,256.28,3,3,0,4,1.52,57.26,0.233651548,-875.8787459,8.1916,-0.21408,-0.0732,0.14088,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-808
192,Non-Steroid,O=C1OC2=CC=CC=C2C(CN3C=CN=C3)=C1,5.68,Inactive,226.25,2,3,0,3,1.537,48.03,0.220467259,-761.3507101,6.8661,-0.23288,-0.07528,0.1576,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-809
193,Non-Steroid,O=C1OC2=CC(OC)=CC=C2C(CN3C=CN=C3)=C1,6.55,Active,256.28,3,3,0,4,1.52,57.26,0.240563516,-875.8744088,8.6729,-0.22829,-0.06807,0.16022,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-810
194,Non-Steroid,O=C1OC2=CC(OC)=CC=C2C(CN3N=CN=C3)=C1,5.44,Inactive,257.27,3,3,0,5,1.393,70.15,0.253635467,-891.9113908,8.2927,-0.23136,-0.06815,0.16321,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-811
195,Non-Steroid,O=C1OC2=CC=CC=C2C(OCCN3C=CN=C3)=C1,6.12,Active,256.28,4,3,0,4,1.143,57.26,0.226374419,-875.8818112,5.6827,-0.23509,-0.06184,0.17325,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-812
196,Non-Steroid,O=C1OC2=CC(OC)=CC=C2C(OCCN3C=CN=C3)=C1,4,Inactive,286.31,5,3,0,5,1.126,66.49,0.243514743,-990.4054725,7.4344,-0.22647,-0.05416,0.17231,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-813
197,Non-Steroid,O=C1OC2=CC(OC3=CC=CC=C3)=CC=C2C(CN4C=CN=C4)=C1,7.29,Active,318.35,4,4,0,4,3.097,57.26,0.225236579,-1067.615226,8.3947,-0.2289,-0.07006,0.15884,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-814
198,Non-Steroid,O=C1OC2=CC(OC)=CC(CN3C=CN=C3)=C2C=C1,6.77,Active,256.28,3,3,0,4,1.56,57.26,0.234125839,-875.8719905,7.1373,-0.22849,-0.07212,0.15637,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-815
199,Non-Steroid,O=C1OC2=CC=C(CN3C=CN=C3)C=C2C=C1,6.84,Active,226.25,2,3,0,3,1.576,48.03,0.221419185,-761.351995,3.158,-0.23169,-0.07602,0.15567,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-816
200,Non-Steroid,O=C1OC2=CC(CN3C=CN=C3)=CC=C2C=C1,6.17,Active,226.25,2,3,0,3,1.576,48.03,0.221903926,-761.3516999,2.9715,-0.23085,-0.0757,0.15515,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-817
201,Non-Steroid,O=C1OC2=CC(CN3N=CN=C3)=CC=C2C=C1,4.5,Inactive,227.24,2,3,0,4,1.449,60.92,0.2369405,-777.3888218,3.781,-0.24352,-0.07558,0.16794,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-818
202,Non-Steroid,O=C1OC2=CC(OCN3C=CN=C3)=CC=C2C=C1,4.5,Inactive,242.25,3,3,0,4,1.607,57.26,0.2371995,-836.5616672,6.6114,-0.23361,-0.0696,0.16401,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-819
203,Non-Steroid,O=C1OC2=C(CN3C=CN=C3)C(OC)=CC=C2C=C1,4.5,Inactive,256.28,3,3,0,4,1.56,57.26,0.230264742,-875.8775298,8.0892,-0.21111,-0.07165,0.13946,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-820
204,Non-Steroid,O=C1OC2=CC=CC=C2C(CN3C=CN=C3)=C1C4=CC=CC=C4,5.29,Inactive,302.35,3,4,0,3,3.015,48.03,0.189458973,-992.4004175,2.6435,-0.22791,-0.07804,0.14987,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-821
205,Non-Steroid,O=C1OC2=CC=CC(C3=CC=CC=C3)=C2C(CN4C=CN=C4)=C1,6.97,Active,302.35,3,4,0,3,3.055,48.03,0.190535027,-992.3969327,7.8408,-0.22729,-0.07272,0.15457,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-822
206,Non-Steroid,O=C1OC2=CC(OCC3=CC=CC=C3)=CC=C2C(CN4C=CN=C4)=C1,6.82,Active,332.38,5,4,0,4,3.104,57.26,0.213233195,-1106.926588,8.9223,-0.22745,-0.0673,0.16015,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-823
207,Non-Steroid,S=C1OC2=CC=C(CN3C=CN=C3)C=C2C=C1,5.95,Inactive,242.32,2,3,0,2,2.476,63.05,0.194535704,-1084.303862,4.1079,-0.22152,-0.09181,0.12971,"Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors",J Med Chem. 2004 Dec 30;47(27):6792-824
208,Non-Steroid,O=S(OC1=CC=C(C(N2N=CN=C2)C3=CC=C(OS(=O)(N)=O)C=C3)C=C1)(N)=O,5.516555352,Inactive,425.49,7,3,4,10,0.713,186.25,0.333072512,-2101.932812,3.5737,-0.25565,-0.04083,0.21482,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-38
209,Non-Steroid,O=S(OC1=CC=CC(C(N2N=CN=C2)C3=CC=CC(OS(=O)(N)=O)=C3)=C1)(N)=O,7.004364805,Active,425.49,7,3,4,10,0.713,186.25,0.330082372,-2101.932474,2.0691,-0.26105,-0.03302,0.22803,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-39
210,Non-Steroid,BrC1=C(OS(=O)(N)=O)C=CC(C(N2N=CN=C2)C3=CC=C(OS(=O)(N)=O)C(Br)=C3)=C1,7.366531544,Active,583.27,7,3,4,10,2.21,186.25,0.331160233,-7244.136558,3.1941,-0.25799,-0.05014,0.20785,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-40
213,Non-Steroid,O=S(OC1=CC=C(C(N2N=CN=C2)C3=CC=C(C#N)C=C3)C=C1)(N)=O,7.886056648,Active,355.41,5,3,2,7,1.731,132.27,0.276163,-1515.039962,3.1301,-0.26021,-0.06169,0.19852,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-41
214,Non-Steroid,ClC1=C(OS(=O)(N)=O)C=CC(C(N2N=CN=C2)C3=CC=C(C#N)C=C3)=C1,7.920818754,Active,389.85,5,3,2,7,2.396,132.27,0.272857763,-1974.630596,5.5628,-0.26177,-0.06699,0.19478,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-42
215,Non-Steroid,BrC1=C(OS(=O)(N)=O)C=CC(C(N2N=CN=C2)C3=CC=C(C#N)C=C3)=C1,8.522878745,Active,434.3,5,3,2,7,2.48,132.27,0.274268026,-4086.141475,5.3025,-0.26036,-0.06727,0.19309,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-43
216,Non-Steroid,OC1=CC=CC(C(N2N=CN=C2)C3=CC=CC(O)=C3)=C1,5.609594844,Inactive,267.31,3,3,2,4,2.457,71.17,0.232044152,-894.0959369,1.3939,-0.22377,-0.01724,0.20653,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-44
217,Non-Steroid,OC1=CC=C(C(N2N=CN=C2)C3=CC=C(O)C=C3)C=C1,6.749579998,Active,267.31,3,3,2,4,2.457,71.17,0.230451788,-894.0960313,3.9733,-0.2213,-0.01876,0.20254,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-45
218,Non-Steroid,OC1=C(Br)C=C(C(N2N=CN=C2)C3=CC=C(O)C(Br)=C3)C=C1,8,Active,425.09,3,3,2,4,3.954,71.17,0.222553152,-6036.305314,2.1194,-0.23195,-0.03367,0.19828,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-46
219,Non-Steroid,OC1=C(OC)C=CC(C(N2N=CN=C2)C3=CC=C(OC)C(O)=C3)=C1,6.772113295,Active,327.37,5,3,2,6,2.424,89.63,0.249332585,-1123.128237,3.352,-0.20666,-0.01166,0.195,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-47
220,Non-Steroid,OC1=C(OC)C=C(C(N2N=CN=C2)C3=CC=C(O)C(OC)=C3)C=C1,6.66756154,Active,327.37,5,3,2,6,2.424,89.63,0.249849439,-1123.137734,4.3322,-0.2083,-0.00733,0.20097,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-48
221,Non-Steroid,OC1=CC=C(C(N2N=CN=C2)C3=CC=C(C#N)C=C3)C=C1,8.142667504,Active,276.32,3,3,1,4,2.603,74.73,0.214570152,-911.1209821,4.0206,-0.23478,-0.06604,0.16874,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-49
222,Non-Steroid,OC1=C(Cl)C=C(C(N2N=CN=C2)C3=CC=C(C#N)C=C3)C=C1,8.259637311,Active,310.76,3,3,1,4,3.268,74.73,0.210101273,-1370.71268,3.5518,-0.24117,-0.06953,0.17164,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-50
223,Non-Steroid,OC1=C(Br)C=C(C(N2N=CN=C2)C3=CC=C(C#N)C=C3)C=C1,8.744727495,Active,355.21,3,3,1,4,3.352,74.73,0.210034182,-3482.222264,3.5678,-0.23948,-0.06926,0.17022,"Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity",J Med Chem. 2008;51(14):4226-51
265,Non-Steroid,OC(C1=CC=C(F)C=C1)(C2=CC(C=CC(OC)=C3)=C3O2)C4=CN=CC=C4,7.356547324,Active,349.38,4,4,1,5,3.911,55.49,0.218104619,-1190.088906,5.0984,-0.20387,-0.02808,0.17579,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-22
266,Non-Steroid,OC(C1=CC=C(Cl)C=C1)(C2=CC(C=CC(OC)=C3)=C3O2)C4=CN=CC=C4,7.30980392,Active,365.83,4,4,1,4,4.37,55.49,0.20111531,-1550.451703,5.6711,-0.20543,-0.03099,0.17444,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-23
267,Non-Steroid,OC(C1=CC=C(OC)C=C1)(C2=CC(C=CC(OC)=C3)=C3O2)C4=CN=CC=C4,6.795880017,Active,361.42,5,4,1,5,3.689,64.72,0.21726937,-1205.378215,3.7814,-0.19875,-0.02329,0.17546,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-24
268,Non-Steroid,COC1=CC(O2)=C(C=C1)C=C2C(C3=CC=C(OC)C=C3)N4C=NC=C4,6.886056648,Active,334.4,5,4,0,4,3.681,49.42,0.216658674,-1108.098025,4.3335,-0.20228,-0.01876,0.18352,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-25
269,Non-Steroid,FC(C=C1)=CC=C1C(C2=CC(C=CC(OC)=C3)=C3O2)N4C=NC=N4,7.30980392,Active,323.35,4,4,0,5,3.776,53.08,0.215561721,-1108.098329,4.7486,-0.20464,-0.02376,0.18088,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-26
270,Non-Steroid,ClC(C=C1)=CC=C1C(C2=CC(C=CC(OC)=C3)=C3O2)N4C=NC=N4,7.356547324,Active,339.8,4,4,0,4,4.235,53.08,0.209093263,-1469.208379,3.8367,-0.2063,-0.03061,0.17569,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-27
271,Non-Steroid,COC1=CC(O2)=C(C=C1)C=C2C(C3=CC=C(OC)C=C3)N4C=NC=N4,6.886056648,Active,335.39,5,4,0,5,3.554,62.31,0.226372452,-1124.136104,4.3722,-0.20116,-0.02038,0.18078,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-28
272,Non-Steroid,COC1=CC(O2)=C(C=C1)C=C2C(C3=CC=C(C#N)C=C3)N4C=NC=N4,8,Active,330.37,4,4,0,5,3.449,76.87,0.225043385,-1101.85498,5.0287,-0.21072,-0.06239,0.14833,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-29
273,Non-Steroid,COC1=CC(O2)=C(C=C1)C=C2C(C3=CC=C([N+]([O-])=O)C=C3)N4C=NC=N4,6.22184875,Active,350.36,5,4,0,6,3.465,98.9,0.236795625,-1214.112985,5.1366,-0.21167,-0.09553,0.11614,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-30
274,Non-Steroid,CC(C=C1)=CC=C1C(C2=CC(C=CC(OC)=C3)=C3O2)N4C=NC=N4,7,Active,319.39,4,4,0,4,4.056,53.08,0.221266463,-1048.931107,4.459,-0.20178,-0.02123,0.18055,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-31
275,Non-Steroid,COC1=CC(O2)=C(C=C1)C=C2C(C3=CC=C(C(F)(F)F)C=C3)N4C=NC=N4,6.886056648,Active,373.36,4,4,0,7,4.512,53.08,0.232897463,-1346.649106,3.9235,-0.20673,-0.03936,0.16737,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-32
276,Non-Steroid,COC1=CC(O2)=C(C=C1)C=C2C(C3=CC=C(CC)C=C3)N4C=NC=N4,5.910094889,Inactive,333.42,5,4,0,4,4.513,53.08,0.217534182,-1088.244723,4.4938,-0.20185,-0.02168,0.18017,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-33
277,Non-Steroid,OC1=CC(O2)=C(C=C1)C=C2C(C3=CC=C(Cl)C=C3)N4C=NC=N4,5.835647144,Inactive,325.77,3,4,1,4,3.984,64.08,0.221010086,-1429.902235,3.6989,-0.20926,-0.03117,0.17809,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-34
278,Non-Steroid,OC1=CC(O2)=C(C=C1)C=C2C(C3=CC=C(C#N)C=C3)N4C=NC=N4,7.698970004,Active,316.34,3,4,1,5,3.198,87.87,0.237872056,-1062.548781,4.5423,-0.21386,-0.06308,0.15078,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-35
279,Non-Steroid,OC1=CC(O2)=C(C=C1)C=C2C(C3=CC=C([N+]([O-])=O)C=C3)N4C=NC=N4,7.22184875,Active,336.33,4,4,1,6,3.214,109.9,0.250188568,-1174.806815,4.6355,-0.21487,-0.09614,0.11873,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-36
280,Non-Steroid,CC(C)(C#N)C1=CC(C(C)(C#N)C)=CC(CN2C=NC=N2)=C1,6.22184875,Active,293.41,4,2,0,4,2.966,78.29,0.232477,-932.9721075,5.2012,-0.26549,-0.03658,0.22891,"Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation",J Med Chem. 2006;49(3):1016-37
281,Non-Steroid,O=C1C(C(N2CCCC2)C3=CC=C(C=C3)[N+]([O-])=O)=COC4=CC=CC=C41,8.64,Active,350.4,4,4,0,5,3.39,79.27,0.201864659,-1183.255072,7.2061,-0.22712,-0.08114,0.14598,Enantioselective nonsteroidal aromatase inhibitors identified through a multidisciplinary medicinal chemistry approach,J Med Chem. 2005;48(23):7282-9
283,Non-Steroid,O=C1C(C(N2CCCC2)C3=CC=C(C=C3)Br)=COC4=CC=CC=C41,7.31,Active,384.29,3,4,0,3,4.244,33.45,0.178934238,-3549.857171,4.0645,-0.21765,-0.05433,0.16332,Enantioselective nonsteroidal aromatase inhibitors identified through a multidisciplinary medicinal chemistry approach,J Med Chem. 2005;48(23):7282-10
285,Non-Steroid,O=C1C(C(N2CCCC2)C3=CC=C(C=C3)C#N)=COC4=CC=CC=C41,6.96,Active,330.41,3,4,0,4,3.374,57.24,0.190017953,-1070.996553,7.0059,-0.22524,-0.05943,0.16581,Enantioselective nonsteroidal aromatase inhibitors identified through a multidisciplinary medicinal chemistry approach,J Med Chem. 2005;48(23):7282-11
337,Steroid,CC12C(CCC2=O)C3C=CC4=C(C5=CC=CCC5=S)C(CCC4(C)C3CC1)=O,7.602059991,Active,392.6,1,5,0,2,4.064,66.23,0.194941893,-1518.111712,5.9392,-0.20283,-0.09171,0.11112,"Aromatase inhibitors: effect of ring A and ring B unsaturation on aromatase inhibition by 4-thiosubstituted derivatives of 4-androstene-3,17-dione",Steroids. 1995;60(5):423-7
338,Steroid,CC12C(CCC2=O)C3C=CC4=C(C5=CC=CCC5=S)C(C=CC4(C)C3CC1)=O,7.187086643,Active,390.58,1,5,0,2,4.04,66.23,0.190578407,-1516.887218,6.2854,-0.20399,-0.09202,0.11197,"Aromatase inhibitors: effect of ring A and ring B unsaturation on aromatase inhibition by 4-thiosubstituted derivatives of 4-androstene-3,17-dione",Steroids. 1995;60(5):423-8
339,Steroid,CC12C(CCC2=O)C3CCC4=C(C5=CC=CCC5=S)C(C=CC4(C)C3CC1)=O,6.301029996,Active,392.6,1,5,0,2,4.485,66.23,0.193599036,-1518.105303,5.71,-0.20698,-0.09116,0.11582,"Aromatase inhibitors: effect of ring A and ring B unsaturation on aromatase inhibition by 4-thiosubstituted derivatives of 4-androstene-3,17-dione",Steroids. 1995;60(5):423-9
340,Steroid,CC12C(CCC2=O)C3CCC4=C(C5=CC=CCC5=S)C(CCC4(C)C3CC1)=O,6.744727495,Active,394.62,1,5,0,2,4.508,66.23,0.200065224,-1519.319682,5.501,-0.20616,-0.09217,0.11399,"Aromatase inhibitors: effect of ring A and ring B unsaturation on aromatase inhibition by 4-thiosubstituted derivatives of 4-androstene-3,17-dione",Steroids. 1995;60(5):423-10
341,Non-Steroid,O=C(C1=CC=CC=C1C/2)C2=C(C3=CC=NC=C3)/[H],4.602059991,Inactive,221.27,1,3,0,2,2.656,29.96,0.18424375,-708.1912821,3.467,-0.24888,-0.08897,0.15991,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-81
342,Non-Steroid,O=C(C1=CC=CC=C1C/2)C2=C([H])/C3=CC=NC=C3,5.259637311,Inactive,221.27,1,3,0,2,2.656,29.96,0.184247143,-708.1912818,3.4668,-0.24888,-0.08898,0.1599,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-82
343,Non-Steroid,O=C(C1=CC=CC(OC)=C1C/2)C2=C(C3=CC=NC=C3)/[H],4.638272164,Inactive,251.3,2,3,0,3,2.64,39.19,0.199128313,-822.7146648,5.003,-0.23213,-0.08504,0.14709,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-83
344,Non-Steroid,O=C(C1=CC=CC(OC)=C1C/2)C2=C([H])/C3=CC=NC=C3,5.431798276,Inactive,251.3,2,3,0,3,2.64,39.19,0.199127781,-822.7146647,5.0029,-0.23213,-0.08504,0.14709,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-84
345,Non-Steroid,O=C(C1=CC=C(OC)C=C1C/2)C2=C(C3=CC=NC=C3)/[H],5.318758763,Inactive,251.3,2,3,0,3,2.64,39.19,0.2085795,-822.7160605,4.9269,-0.23324,-0.08271,0.15053,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-85
346,Non-Steroid,O=C(C1=CC=C(OC)C=C1C/2)C2=C([H])/C3=CC=NC=C3,5.200659451,Inactive,251.3,2,3,0,3,2.64,39.19,0.208580844,-822.7160606,4.9273,-0.23324,-0.0827,0.15054,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-86
347,Non-Steroid,O=C(C1=CC=CC(O)=C1C/2)C2=C(C3=CC=NC=C3)/[H],4.657577319,Inactive,237.27,1,3,1,3,2.389,50.19,0.212546,-783.4079301,4.7283,-0.236,-0.08661,0.14939,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-87
349,Non-Steroid,O=C1C(CC2=CC=NC=C2)CC3=CC=CC=C31,4.769551079,Inactive,223.29,2,3,0,2,2.696,29.96,0.186071467,-709.4105757,3.5872,-0.24478,-0.05979,0.18499,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-88
350,Non-Steroid,O=C1C(CC2=CC=NC=C2)CC3=C(OC)C=CC=C31,4.853871964,Inactive,253.32,3,3,0,3,2.679,39.19,0.198870853,-823.926897,3.052,-0.23566,-0.05835,0.17731,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-89
351,Non-Steroid,O=C1C(CC2=CC=NC=C2)CC3=CC(OC)=CC=C31,5.468521083,Inactive,253.32,3,3,0,3,2.679,39.19,0.206948853,-823.93573,4.7794,-0.23415,-0.04894,0.18521,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-90
352,Non-Steroid,O=C1C(CC2=CC=NC=C2)CC3=C(O)C=CC=C31,5.37675071,Inactive,239.29,2,3,1,3,2.428,50.19,0.213151323,-784.6262362,2.2178,-0.23583,-0.05992,0.17591,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-91
353,Non-Steroid,O=C1C(CC2=CC=NC=C2)CC3=CC(O)=CC=C31,5.031517051,Inactive,239.29,2,3,1,3,2.428,50.19,0.220858581,-784.6290999,4.1181,-0.23867,-0.05116,0.18751,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-92
354,Non-Steroid,C12=CC=CC=C1CC(CC3=CC=NC=C3)C2,5.619788758,Inactive,209.31,2,3,0,1,3.477,12.89,0.168165097,-635.3902568,2.3984,-0.23245,-0.02054,0.21191,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-93
355,Non-Steroid,COC1=C(CC(CC2=CC=NC=C2)C3)C3=CC=C1,5.193820026,Inactive,239.34,3,3,0,2,3.46,22.12,0.183737257,-749.9124782,3.6735,-0.21468,-0.01845,0.19623,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-94
356,Non-Steroid,COC1=CC=C2C(CC(CC3=CC=NC=C3)C2)=C1,6.619788758,Active,239.34,3,3,0,2,3.46,22.12,0.191171771,-749.9114886,2.7154,-0.20979,-0.01932,0.19047,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-95
357,Non-Steroid,OC1=C(CC(CC2=CC=NC=C2)C3)C3=CC=C1,6,Inactive,225.31,2,3,1,2,3.209,33.12,0.195660656,-710.6052826,2.0407,-0.21773,-0.02312,0.19461,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-96
358,Non-Steroid,OC1=CC=C2C(CC(CC3=CC=NC=C3)C2)=C1,5.721246399,Inactive,225.31,2,3,1,2,3.209,33.12,0.202814438,-710.6050215,3.2848,-0.21195,-0.02046,0.19149,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-97
359,Non-Steroid,C12=CC=CC=C1CC(CC3=CC=NC=C3)CC2,5.920818754,Inactive,223.34,2,3,0,1,3.933,12.89,0.167613412,-674.7063818,2.7114,-0.23429,-0.01906,0.21523,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-98
360,Non-Steroid,COC1=C(CCC(CC2=CC=NC=C2)C3)C3=CC=C1,6.229147988,Active,253.37,3,3,0,2,3.916,22.12,0.180305447,-789.2312886,3.4452,-0.21133,-0.01837,0.19296,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-99
361,Non-Steroid,COC1=CC=C2C(CCC(CC3=CC=NC=C3)C2)=C1,6.638272164,Active,253.37,3,3,0,2,3.916,22.12,0.188273632,-789.2286469,2.4032,-0.21,-0.01786,0.19214,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-100
362,Non-Steroid,COC1=CC=C(CCC(CC2=CC=NC=C2)C3)C3=C1,5.366531544,Inactive,253.37,3,3,0,2,3.916,22.12,0.187329,-789.2305248,3.0409,-0.20872,-0.01952,0.1892,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-101
363,Non-Steroid,OC1=C(CCC(CC2=CC=NC=C2)C3)C3=CC=C1,6.27572413,Active,239.34,2,3,1,2,3.665,33.12,0.193004629,-749.9237288,2.9254,-0.21325,-0.02227,0.19098,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-102
364,Non-Steroid,OC1=CC=C2C(CCC(CC3=CC=NC=C3)C2)=C1,6.124938737,Active,239.34,2,3,1,2,3.665,33.12,0.198731229,-749.9222541,2.0211,-0.21288,-0.01859,0.19429,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-103
365,Non-Steroid,OC1=CC=C(CCC(CC2=CC=NC=C2)C3)C3=C1,5.886056648,Inactive,239.34,2,3,1,2,3.665,33.12,0.197520029,-749.9239565,3.7105,-0.211,-0.01935,0.19165,"Aromatase inhibitors. Syntheses and structure-activity studies of novel pyridyl-substituted indanones, indans, and tetralins",J Med Chem. 1994;37(9):1275-104
374,Non-Steroid,[H][C@@]1(C2=CC=C(C#N)C=C2)CCCC3=CN=CN13,8.49,Active,223.3,1,3,0,2,2.271,41.61,0.203041367,-705.563887,5.4966,-0.21988,-0.05834,0.16154,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-88
375,Non-Steroid,[H][C@]1(C2=CC=C(C#N)C=C2)CCCC3=CN=CN13,6.17,Active,223.3,1,3,0,2,2.271,41.61,0.2024048,-705.5644837,5.6807,-0.21834,-0.0611,0.15724,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-89
376,Non-Steroid,C=C(N1C=NC=C1)C2=CC=C(C#N)C=C2,9.15,Active,195.24,2,2,0,2,1.635,41.61,0.20268925,-626.9079095,3.0932,-0.23773,-0.07807,0.15966,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-90
377,Non-Steroid,N#CC(C=C1)=CC2=C1C(N3C=NC=C3)=CCC2,8.54,Active,221.28,1,3,0,2,2.152,41.61,0.2012385,-704.3422045,5.3357,-0.22991,-0.07503,0.15488,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-91
378,Non-Steroid,N#CC(C=C1)=CC=C1C2(C3=CC=C(C#N)C=C3)CCCC4=CN=CN24,6.63,Active,324.41,2,4,0,3,3.59,65.4,0.202483,-1028.846633,5.4767,-0.22807,-0.0683,0.15977,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-92
379,Non-Steroid,[H]C(C1=CC=C(C#N)C=C1)(N2C=NC=C2)C3=CC=C(C#N)C=C3,8.46,Active,284.34,3,3,0,3,2.877,65.4,0.188232941,-912.1086278,2.251,-0.2405,-0.07439,0.16611,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-93
380,Non-Steroid,BrC(C=C1)=CC=C1/N=C(N2C=NC=C2)\C3=CC=C(C#N)C=C3,8.11,Active,351.22,3,3,0,3,3.836,53.97,0.19710203,-3445.110899,1.498,-0.23426,-0.09809,0.13617,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-94
381,Non-Steroid,N#CC(C=C1)=C2C(C=CC=C2)=C1CN3C=NC=C3,8.7,Active,233.29,2,3,0,2,2.294,41.61,0.177885655,-742.4625545,4.8996,-0.23204,-0.07774,0.1543,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-95
382,Non-Steroid,CC1=C(C)OC2=C(C#N)C=CC(CN3C=NC=C3)=C21,8.46,Active,251.31,2,3,0,3,2.321,54.75,0.217858844,-818.8847634,6.1509,-0.2309,-0.05935,0.17155,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-96
383,Non-Steroid,N#CC1=CC=CC=C1CN2C=NC=C2,6.52,Active,183.23,2,2,0,2,1.386,41.61,0.188362435,-588.818899,7.0467,-0.22319,-0.06486,0.15833,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-97
385,Non-Steroid,BrC(C=C1)=CC=C1CN2C=NC=C2,7.07,Active,237.11,2,2,0,1,2.255,17.82,0.168551545,-3067.682367,3.1738,-0.22666,-0.02759,0.19907,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-98
386,Non-Steroid,O=C(C(C=C1)=CC=C1CN2C=NC=C2)C3=CC=CC=C3,8,Active,262.33,4,3,0,2,2.911,34.89,0.174094029,-840.9610793,5.9121,-0.22543,-0.06997,0.15546,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-99
387,Non-Steroid,O=[N+](C(C=C1)=CC=C1CN2C=NC=C2)[O-],8.26,Active,203.22,3,2,0,3,1.401,63.64,0.211058333,-701.0784952,4.0308,-0.23523,-0.09585,0.13938,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-100
388,Non-Steroid,N#CC(C=C1)=CC=C1CN2C=NC=C2,8,Active,183.23,2,2,0,2,1.386,41.61,0.189839652,-588.8203971,3.9609,-0.23373,-0.06177,0.17196,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-101
389,Non-Steroid,CC(C1=CC=C(C#N)C=C1)(C)N2C=NC=C2,7.68,Active,211.29,2,2,0,2,1.968,41.61,0.201296552,-667.4453331,5.6411,-0.22724,-0.05952,0.16772,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-102
390,Non-Steroid,N#CC(C=C1)=CC=C1C2(CCCC2)N3C=NC=C3,8.12,Active,237.33,2,3,0,2,2.644,41.61,0.189762848,-744.8593718,5.9907,-0.22693,-0.05791,0.16902,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-103
391,Non-Steroid,N#CC(C=C1)=CC=C1C(C2=CC=C(C#N)C=C2)N3C=NC=N3,7.96,Active,285.33,3,3,0,4,2.749,78.29,0.200074212,-928.1439239,2.0553,-0.27418,-0.07429,0.19989,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-104
392,Non-Steroid,N#CC(C=C1)=CC=C1C(C2=CC=C(C#N)C=C2)N3N=NC=C3,7.92,Active,285.33,3,3,0,4,2.966,78.29,0.177799606,-928.1191646,1.8479,-0.27153,-0.0776,0.19393,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-105
393,Non-Steroid,N#CC(C=C1)=CC=C1C(C2=CC=C(C#N)C=C2)N3N=NC=N3,9,Active,286.32,3,3,0,5,2.839,91.18,0.188937406,-944.1537878,4.3211,-0.27308,-0.07654,0.19654,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-106
394,Non-Steroid,N#CC(C=C1)=CC=C1C(C2=CN=CN=C2)C3=CC=C(C#N)C=C3,7.15,Active,296.35,3,3,0,4,3.068,73.36,0.190733086,-950.2210109,3.4471,-0.26624,-0.07124,0.195,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-107
395,Non-Steroid,N#CC(C=C1)=CC=C1C(C2=CN=CC=C2)C3=CC=C(C#N)C=C3,7.91,Active,295.36,3,3,0,3,3.696,60.47,0.182077694,-934.1828206,5.7852,-0.25992,-0.06559,0.19433,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-108
396,Non-Steroid,N#CC(C=C1)=CC=C1/C(N2C=NC=N2)=C3CCCCC/3,7.67,Active,264.36,2,3,0,3,3.353,54.5,0.198551389,-838.3116475,5.9722,-0.2432,-0.06611,0.17709,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-109
398,Non-Steroid,N#CC(C=C1)=CC=C1C(N2C=NC=N2)(CC)C3=CC=C(C#N)C=C3,7.74,Active,313.39,4,3,0,4,3.478,78.29,0.202363077,-1006.765014,3.5741,-0.27269,-0.07591,0.19678,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-110
399,Non-Steroid,FC(C1=CC=C(C#N)C=C1)(N2C=NC=N2)C3=CC=C(C#N)C=C3,7.89,Active,303.32,3,3,0,5,3.056,78.29,0.210161,-1027.378804,2.1414,-0.27532,-0.08285,0.19247,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-111
400,Non-Steroid,FC(C1=CC=C(C#N)C=C1)(N2N=NC=C2)C3=CC=C(C#N)C=C3,7.68,Active,303.32,3,3,0,5,3.272,78.29,0.188824212,-1027.350748,3.8763,-0.27382,-0.08367,0.19015,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-112
401,Non-Steroid,FC(C1=CC=C(C#N)C=C1)(N2N=NC=N2)C3=CC=C(C#N)C=C3,7.52,Active,304.31,3,3,0,6,3.145,91.18,0.19683025,-1043.382901,3.0501,-0.27773,-0.08019,0.19754,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-113
402,Non-Steroid,FC(C1=CC=C(C#N)C=C1)(N2C=NC=C2)C3=CC=C(C#N)C=C3,8.24,Active,302.33,3,3,0,4,3.183,65.4,0.200681824,-1011.343457,1.6544,-0.24563,-0.0819,0.16373,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-114
403,Non-Steroid,O=C1C2=C(C=CC=C2)CC/C1=C\C3=CC=NC=C3,5.03,Inactive,235.3,1,3,0,2,3.112,29.96,0.182274419,-747.5029346,3.548,-0.24771,-0.07977,0.16794,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-115
404,Non-Steroid,O=C1C2=C(C(OC)=CC=C2)CC/C1=C\C3=CC=NC=C3,5.2,Inactive,265.33,2,3,0,3,3.096,39.19,0.195728114,-862.0251136,5.0585,-0.22698,-0.07597,0.15101,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-116
405,Non-Steroid,O=C1C2=C(C=C(OC)C=C2)CC/C1=C\C3=CC=NC=C3,5.05,Inactive,265.33,2,3,0,3,3.096,39.19,0.204739486,-862.0281043,4.7074,-0.23055,-0.07304,0.15751,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-117
407,Non-Steroid,O=C1C2=C(C(O)=CC=C2)CC/C1=C\C3=CC=NC=C3,6.16,Active,251.3,1,3,1,3,2.845,50.19,0.208318344,-822.7187218,4.7333,-0.23075,-0.07761,0.15314,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-118
408,Non-Steroid,O=C1C2=C(C=C(O)C=C2)CC/C1=C\C3=CC=NC=C3,5.06,Inactive,251.3,1,3,1,3,2.845,50.19,0.216879813,-822.7217322,4.0482,-0.23475,-0.07441,0.16034,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-119
410,Non-Steroid,O=C1C2=C(C=CC=C2)CC/C1=C/C3=CC=NC=C3,4.92,Inactive,235.3,1,3,0,2,3.112,29.96,0.182982581,-747.4997003,5.2738,-0.24209,-0.08146,0.16063,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-120
411,Non-Steroid,O=C1C2=C(C(CCCC3)=C3C=C2)CC/C1=C\C4=CC=NC=C4,5,Inactive,289.4,1,4,0,2,4.626,29.96,0.186080927,-903.5590054,4.5863,-0.24081,-0.07481,0.166,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-121
412,Non-Steroid,O=C1C2=C(C=CC(OC)=C2)CC/C1=C\C3=CC=NC=C3,5.02,Inactive,265.33,2,3,0,3,3.096,39.19,0.202721086,-862.0262968,2.7926,-0.22474,-0.07888,0.14586,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-122
414,Non-Steroid,O=C1C2=C(C=CC(O)=C2)CC/C1=C\C3=CC=NC=C3,6.68,Active,251.3,1,3,1,3,2.845,50.19,0.215530438,-822.719563,2.3591,-0.22867,-0.08095,0.14772,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-123
416,Non-Steroid,O=C1C2=C(C=CC=C2)C/C1=C([H])\C3=CC=NC=C3,4.6,Inactive,221.27,1,3,0,2,2.656,29.96,0.184246536,-708.1912819,3.4669,-0.24888,-0.08897,0.15991,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-124
417,Non-Steroid,O=C1C2=C(C=CC=C2)C/C1=C(C3=CC=NC=C3)\[H],5.26,Inactive,221.27,1,3,0,2,2.656,29.96,0.184245857,-708.1912819,3.467,-0.24888,-0.08897,0.15991,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-125
418,Non-Steroid,O=C1C2=C(C(OC)=CC=C2)C/C1=C(C3=CC=NC=C3)/[H],4.64,Inactive,251.3,2,3,0,3,2.64,39.19,0.199127844,-822.7146649,5.003,-0.23213,-0.08504,0.14709,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-126
419,Non-Steroid,O=C1C2=C(C(OC)=CC=C2)C/C1=C(C3=CC=NC=C3)\[H],5.43,Inactive,251.3,2,3,0,3,2.64,39.19,0.199127844,-822.7146649,5.003,-0.23213,-0.08504,0.14709,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-127
420,Non-Steroid,O=C1C2=C(C=C(OC)C=C2)C/C1=C(C3=CC=NC=C3)/[H],5.32,Inactive,251.3,2,3,0,3,2.64,39.19,0.208581281,-822.7160604,4.9274,-0.23324,-0.0827,0.15054,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-128
421,Non-Steroid,O=C1C2=C(C=C(OC)C=C2)C/C1=C([H])/C3=CC=NC=C3,5.2,Inactive,251.3,2,3,0,3,2.64,39.19,0.208580844,-822.7160605,4.9274,-0.23324,-0.0827,0.15054,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-129
422,Non-Steroid,O=C1C2=C(C=C(O)C=C2)C/C1=C(C3=CC=NC=C3)/[H],4.66,Inactive,237.27,1,3,1,3,2.389,50.19,0.222192138,-783.409728,4.2716,-0.23755,-0.08395,0.1536,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-130
424,Non-Steroid,ClC1=CC=C(C(N2C=NC=C2)C3=CC=C(N=CN4)C4=C3)C=C1,7.35,Active,308.79,3,4,1,2,3.299,46.5,0.1968026,-1334.83824,6.4389,-0.21978,-0.02926,0.19052,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-131
425,Non-Steroid,ClC1=CC=C(C(N2C=NC=N2)([H])C3=CC=C(N=NN4C)C4=C3)C=C1,8.85,Active,324.8,3,4,0,4,3.467,61.42,0.191999194,-1406.192084,2.5151,-0.24149,-0.05234,0.18915,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-132
426,Non-Steroid,[H]C(C1=CC=C(Cl)C=C1)(N2C=NC=N2)C3=CC(N=NN4C)=C4C=C3,8.4,Active,324.8,3,4,0,4,3.467,61.42,0.190914111,-1406.191876,6.3051,-0.24381,-0.05295,0.19086,Comparative molecular field analysis of non-steroidal aromatase inhibitors: an extended model for two different structural classes,Bioorg Med Chem. 1998;6(4):377-133
427,Non-Steroid,CC(C)(C1=CC=C(CN(N2C=NC=C2)CC3=CC=CC4=C3C=CC=C4)C=C1)C,5.338187314,Inactive,369.55,6,4,0,2,5.61,21.06,0.170941545,-1133.14617,3.6266,-0.21249,-0.03948,0.17301,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-58
428,Non-Steroid,ClC1=CC=C(CN(N2C=NC=C2)CC3=CC=CC4=C3C=CC=C4)C(Cl)=C1,5.397940009,Inactive,382.31,5,4,0,2,5.538,21.06,0.15069186,-1895.079885,4.068,-0.21484,-0.04267,0.17217,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-59
429,Non-Steroid,CC(C)(C)C(C=C1)=CC=C1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.665546249,Inactive,395.59,7,4,0,2,6.22,21.06,0.169590356,-1210.564907,4.3466,-0.2177,-0.02981,0.18789,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-60
430,Non-Steroid,N1(N(CC2=CC=CC=C2)CC3=CC=C(C4=CC=CC=C4)C=C3)C=NC=C1,5.920818754,Inactive,339.47,6,4,0,2,4.819,21.06,0.155455553,-1053.310822,4.0702,-0.221,-0.02946,0.19154,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-61
431,Non-Steroid,CC1=CC=CC=C1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.528708289,Inactive,353.5,6,4,0,2,5.306,21.06,0.162612,-1092.625852,4.1157,-0.22102,-0.02951,0.19151,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-62
432,Non-Steroid,ClC1=CC=CC=C1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,6.522878745,Active,373.91,6,4,0,2,5.484,21.06,0.154325468,-1512.903211,4.4362,-0.22102,-0.03333,0.18769,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-63
433,Non-Steroid,FC1=CC=CC=C1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,6.337242168,Active,357.46,6,4,0,3,5.025,21.06,0.163726787,-1152.542892,4.322,-0.21993,-0.03226,0.18767,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-64
434,Non-Steroid,CC(C=C1)=CC=C1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.657577319,Inactive,353.5,6,4,0,2,5.306,21.06,0.16639532,-1092.629091,4.4085,-0.22008,-0.02872,0.19136,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-65
435,Non-Steroid,ClC(C=C1)=CC=C1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.928117993,Inactive,373.91,6,4,0,2,5.484,21.06,0.153672128,-1512.905371,2.0003,-0.22225,-0.03414,0.18811,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-66
436,Non-Steroid,FC(C=C1)=CC=C1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,6.721246399,Active,357.46,6,4,0,3,5.025,21.06,0.168450468,-1152.543935,3.1039,-0.22283,-0.03104,0.19179,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-67
437,Non-Steroid,COC1=CC=CC=C1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.821023053,Inactive,369.5,7,4,0,3,4.803,30.29,0.168239529,-1167.832441,5.6553,-0.21773,-0.02752,0.19021,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-68
438,Non-Steroid,COC(C=C1)=CC=C1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.815308569,Inactive,369.5,7,4,0,3,4.803,30.29,0.17132402,-1167.831075,4.3387,-0.21288,-0.03031,0.18257,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-69
439,Non-Steroid,ClC(C=C1Cl)=CC=C1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.437707136,Inactive,408.35,6,4,0,2,6.148,21.06,0.151051872,-1972.497562,2.7762,-0.22177,-0.03713,0.18464,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-70
440,Non-Steroid,FC(C=C1F)=CC=C1CN(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,6.455931956,Active,375.45,6,4,0,4,5.23,21.06,0.17680366,-1251.774849,2.9655,-0.21942,-0.03169,0.18773,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-71
441,Non-Steroid,ClC(C=C1Cl)=CC=C1CN(CC2=CC=C(C(C)(C)C)C=C2)N3C=NC=C3,5.818156412,Inactive,388.37,6,3,0,2,6.03,21.06,0.170061469,-1898.695485,4.1864,-0.22182,-0.0386,0.18322,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-72
442,Non-Steroid,CC(C)(C)C(C=C1)=CC=C1CN(CC2=CC=CS2)N3C=NC=C3,6.236572006,Active,325.52,6,3,0,2,4.655,49.3,0.181541261,-1300.261801,3.4637,-0.21774,-0.0192,0.19854,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-73
443,Non-Steroid,CC(C)(C)C(C=C1)=CC=C1CC(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,6,Inactive,394.6,7,4,0,1,6.68,17.82,0.17044735,-1194.564937,4.6776,-0.2181,-0.0318,0.1863,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-74
444,Non-Steroid,N1(C(CC2=CC=CC=C2)CC3=CC=C(C4=CC=CC=C4)C=C3)C=NC=C1,6.022276395,Active,338.48,6,4,0,1,5.28,17.82,0.157867271,-1037.308966,4.4225,-0.21942,-0.03027,0.18915,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-75
445,Non-Steroid,CC1=CC=CC=C1CC(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.982966661,Inactive,352.51,6,4,0,1,5.766,17.82,0.16492949,-1076.631282,4.5985,-0.21891,-0.03522,0.18369,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-76
446,Non-Steroid,ClC1=CC=CC=C1CC(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.962573502,Inactive,372.92,6,4,0,1,5.944,17.82,0.156511313,-1496.910162,5.3825,-0.21961,-0.02817,0.19144,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-77
447,Non-Steroid,FC1=CC=CC=C1CC(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.863279433,Inactive,356.47,6,4,0,2,5.485,17.82,0.164613438,-1136.545594,5.1985,-0.21867,-0.03109,0.18758,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-78
448,Non-Steroid,CC(C=C1)=CC=C1CC(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.879426069,Inactive,352.51,6,4,0,1,5.766,17.82,0.168346392,-1076.633543,4.4773,-0.21872,-0.02615,0.19257,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-79
449,Non-Steroid,FC(C=C1)=CC=C1CC(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,6.958607315,Active,356.47,6,4,0,2,5.485,17.82,0.170448104,-1136.5428,3.7034,-0.22146,-0.03436,0.1871,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-80
450,Non-Steroid,COC1=CC=CC=C1CC(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,6.292429824,Active,368.51,7,4,0,2,5.263,27.05,0.169289923,-1151.838797,4.8961,-0.21444,-0.03221,0.18223,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-81
451,Non-Steroid,COC(C=C1)=CC=C1CC(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.774690718,Inactive,368.51,7,4,0,2,5.263,27.05,0.173513423,-1151.838173,3.1928,-0.21234,-0.03321,0.17913,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-82
452,Non-Steroid,ClC(C=C1Cl)=CC=C1CC(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,5.906578315,Inactive,407.36,6,4,0,1,6.608,17.82,0.153322458,-1956.504237,3.7933,-0.22172,-0.03696,0.18476,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-83
453,Non-Steroid,FC(C=C1F)=CC=C1CC(CC2=CC=C(C3=CC=CC=C3)C=C2)N4C=NC=C4,6.585026652,Active,374.46,6,4,0,3,5.691,17.82,0.177350354,-1235.778203,3.9658,-0.2206,-0.03013,0.19047,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-84
464,Non-Steroid,N1(N(C/C=C/C2=CC=CC=C2)CC3=CC=CC4=C3C=CC=C4)C=NC=N1,4.884722409,Inactive,340.46,6,4,0,3,4.55,33.95,0.162477065,-1069.329132,3.3367,-0.20968,-0.04485,0.16483,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-85
470,Non-Steroid,ClC1=CC(Cl)=CC=C1CN(C/C=C/C2=CC=CC=C2)N3C=NC=N3,4.766242637,Inactive,359.28,6,3,0,3,4.971,33.95,0.15891295,-1834.882037,3.3026,-0.22919,-0.04641,0.18278,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-86
471,Non-Steroid,CC(C)(C)C(C=C1)=CC=C1CN(C/C=C/C2=CC=CC=C2)N3C=NC=N3,5.295849483,Inactive,346.52,7,3,0,3,5.042,33.95,0.178661865,-1072.948691,3.4221,-0.22682,-0.04396,0.18286,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-87
473,Non-Steroid,CC(C)(C)C(C=C1)=CC=C1CN(CC2=CC=CS2)N3C=NC=N3,5.034798299,Inactive,326.51,6,3,0,3,4.528,62.19,0.190935911,-1316.303,2.9305,-0.23091,-0.01917,0.21174,CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors,Bioorg Med Chem. 2008;16(18):8349-88
474,Non-Steroid,O=C(CCC1(C2=CC=C(N)C=C2)C3CCCCC3)NC1=O,6.522878745,Active,286.41,2,3,3,4,2.534,72.19,0.248446674,-921.0474531,3.7561,-0.20095,-0.02658,0.17437,Evaluation of the racemate and the enantiomers of a new highly active and selective aromatase inhibitor of the aminoglutethimide type,J Steroid Biochem Mol Biol. 1992;43(7):641-8
475,Non-Steroid,O=C(NC1=O)CC[C@@]1(C2CCCCC2)C3=CC=C(C=C3)N,6.823908741,Active,286.41,2,3,3,4,2.534,72.19,0.248412674,-921.0475454,3.7481,-0.20095,-0.02653,0.17442,Evaluation of the racemate and the enantiomers of a new highly active and selective aromatase inhibitor of the aminoglutethimide type,J Steroid Biochem Mol Biol. 1992;43(7):641-9
476,Non-Steroid,O=C(NC1=O)CC[C@]1(C2CCCCC2)C3=CC=C(C=C3)N,5.337242168,Inactive,286.41,2,3,3,4,2.534,72.19,0.248417302,-921.0475408,3.7306,-0.20092,-0.0265,0.17442,Evaluation of the racemate and the enantiomers of a new highly active and selective aromatase inhibitor of the aminoglutethimide type,J Steroid Biochem Mol Biol. 1992;43(7):641-10
477,Non-Steroid,O=C(CCC1(C2=CC=C(N)C=C2)CC)NC1=O,4.431798276,Inactive,232.31,2,2,3,4,1.285,72.19,0.279753545,-765.0037556,4.0846,-0.20207,-0.02786,0.17421,Evaluation of the racemate and the enantiomers of a new highly active and selective aromatase inhibitor of the aminoglutethimide type,J Steroid Biochem Mol Biol. 1992;43(7):641-11
478,Non-Steroid,O=C(NC1=O)CC[C@]1(CC)C2=CC=C(C=C2)N,4.721246399,Inactive,232.31,2,2,3,4,1.285,72.19,0.279679727,-765.0034969,3.5405,-0.20171,-0.02522,0.17649,Evaluation of the racemate and the enantiomers of a new highly active and selective aromatase inhibitor of the aminoglutethimide type,J Steroid Biochem Mol Biol. 1992;43(7):641-12
479,Non-Steroid,O=C(NC1=O)CC[C@@]1(CC)C2=CC=C(C=C2)N,3.431798276,Inactive,232.31,2,2,3,4,1.285,72.19,0.277617848,-765.006292,4.5103,-0.20721,-0.02476,0.18245,Evaluation of the racemate and the enantiomers of a new highly active and selective aromatase inhibitor of the aminoglutethimide type,J Steroid Biochem Mol Biol. 1992;43(7):641-13
480,Non-Steroid,NC(C1=CC(OC)=CC=C12)=C(CC3=CC=NC=C3)C2=O,5.455931956,Inactive,266.32,3,3,2,4,1.443,65.21,0.233794618,-878.0695778,6.635,-0.20425,-0.06671,0.13754,Evidence for new non-steroidal human aromatase inhibitors and comparison with equine aromatase inhibition for an understanding of the mammalian active site,Eur J Med Chem. 1998;33(6):451-62
481,Non-Steroid,NC(C1=CC(OC)=C(OC)C=C12)=C(CC3=CC=NC=C3)C2=O,5.229147988,Inactive,296.35,4,3,2,5,1.427,74.44,0.240194,-992.5828456,4.7969,-0.2042,-0.07007,0.13413,Evidence for new non-steroidal human aromatase inhibitors and comparison with equine aromatase inhibition for an understanding of the mammalian active site,Eur J Med Chem. 1998;33(6):451-63
482,Non-Steroid,NC(C1=CC(OC)=C(OC)C(OC)=C12)=C(CC3=CC=NC=C3)C2=O,5.283996656,Inactive,326.38,5,3,2,6,1.41,83.67,0.241006071,-1107.098089,3.1726,-0.20394,-0.06965,0.13429,Evidence for new non-steroidal human aromatase inhibitors and comparison with equine aromatase inhibition for an understanding of the mammalian active site,Eur J Med Chem. 1998;33(6):451-64
483,Non-Steroid,[H]/C1=C(\[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])N=C([H])C([H])=C2[H])C([H])([H])C3([H])[H]                                  ,5.690369833,Inactive,207.29,1,3,0,1,3.227,12.89,0.163101862,-634.1668751,2.4271,-0.2072,-0.04643,0.16077,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-15
484,Non-Steroid,[H]/C1=C(\[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])C([H])=C([H])N=C2[H])C([H])([H])C3([H])[H]                                  ,5.449771647,Inactive,207.29,1,3,0,1,3.227,12.89,0.163103,-634.1668817,2.4269,-0.20721,-0.04644,0.16077,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-16
485,Non-Steroid,[H]/C1=C(\[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])N=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C3([H])[H]                       ,5.181774106,Inactive,221.32,1,3,0,1,3.683,12.89,0.163008344,-673.4855335,2.8495,-0.20925,-0.04863,0.16062,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-17
486,Non-Steroid,[H]/C1=C(\[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])C([H])=C([H])N=C2[H])C([H])([H])C([H])([H])C3([H])[H]                       ,5.42136079,Inactive,221.32,1,3,0,1,3.683,12.89,0.162540813,-673.4833246,2.0751,-0.21234,-0.0413,0.17104,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-18
487,Non-Steroid,[F]/C1=C(\[H])C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])N=C([H])C([H])=C3[H]                                  ,5.595166283,Inactive,225.28,1,3,0,2,3.432,12.89,0.186579759,-733.4062176,2.5924,-0.20546,-0.05449,0.15097,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-19
488,Non-Steroid,[F]/C1=C(\[H])C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])C([H])=C([H])N=C3[H]                                  ,5.603800653,Inactive,225.28,1,3,0,2,3.432,12.89,0.187139483,-733.4058657,1.2424,-0.2055,-0.05314,0.15236,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-20
489,Non-Steroid,[Cl]/C1=C(\[H])C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])N=C([H])C([H])=C3[H]                                 ,5.370590401,Inactive,241.73,1,3,0,1,3.891,12.89,0.161915931,-1093.768923,2.6008,-0.20935,-0.06027,0.14908,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-21
490,Non-Steroid,[Cl]/C1=C(\[H])C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])C([H])=C([H])N=C3[H]                                 ,5.392544977,Inactive,241.73,1,3,0,1,3.891,12.89,0.162521517,-1093.768572,1.2905,-0.20937,-0.05903,0.15034,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-22
491,Non-Steroid,[Br]/C1=C(\[H])C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])N=C([H])C([H])=C3[H]                                 ,5.106238238,Inactive,286.18,1,3,0,1,3.975,12.89,0.167576345,-3205.27775,2.5875,-0.2089,-0.06056,0.14834,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-23
492,Non-Steroid,[Br]/C1=C(\[H])C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])C([H])=C([H])N=C3[H],5.132532512,Inactive,286.18,1,3,0,1,3.975,12.89,0.168191759,-3205.277388,1.2519,-0.20892,-0.05934,0.14958,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-24
493,Non-Steroid,[H]/C1=C(\OC([H])([H])[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])N=C([H])C([H])=C2[H])C([H])([H])C3([H])[H]           ,5.36552273,Inactive,237.32,2,3,0,2,3.21,22.12,0.188603697,-748.6902481,1.8878,-0.19513,-0.04117,0.15396,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-25
494,Non-Steroid,[H]/C1=C(\OC([H])([H])[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])C([H])=C([H])N=C2[H])C([H])([H])C3([H])[H]           ,5.254144805,Inactive,237.32,2,3,0,2,3.21,22.12,0.188584788,-748.6902535,1.8888,-0.19514,-0.04114,0.154,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-26
495,Non-Steroid,[H]/C1=C(\OC([H])([H])[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])N=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C3([H])[H],5.946921557,Inactive,251.35,2,3,0,2,3.666,22.12,0.185658944,-788.0088961,4.2729,-0.19644,-0.04286,0.15358,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-27
496,Non-Steroid,[H]/C1=C(\OC([H])([H])[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])C([H])=C([H])N=C2[H])C([H])([H])C([H])([H])C3([H])[H],5.397940009,Inactive,251.35,2,3,0,2,3.666,22.12,0.185175556,-788.0066138,2.8265,-0.199,-0.03548,0.16352,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-28
497,Non-Steroid,[H]C=1C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C=1C([H])([H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])N=C([H])C([H])=C3[H],6.008773924,Active,281.38,3,3,0,3,3.65,31.35,0.19859155,-902.5237024,5.2492,-0.1954,-0.04314,0.15226,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-29
498,Non-Steroid,[H]/C1=C(\OC([H])([H])C([H])([H])[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])N=C([H])C([H])=C2[H])C([H])([H])C3([H])[H] ,5.149966742,Inactive,251.35,3,3,0,2,3.559,22.12,0.189811333,-788.0073575,1.7261,-0.19366,-0.04033,0.15333,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-30
499,Non-Steroid,[H]/C1=C(\OC([H])([H])C([H])([H])[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])C([H])=C([H])N=C2[H])C([H])([H])C3([H])[H] ,5.11463878,Inactive,251.35,3,3,0,2,3.559,22.12,0.18980075,-788.0073609,1.7244,-0.19366,-0.04034,0.15332,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-31
500,Non-Steroid,[H]/C1=C(/C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])N=C([H])C([H])=C3[H])C([H])([H])[H]             ,5.40560745,Inactive,221.32,1,3,0,1,3.713,12.89,0.181565031,-673.4907162,3.1141,-0.20162,-0.05137,0.15025,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-32
501,Non-Steroid,[H]/C1=C(/C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])C([H])=C([H])N=C3[H])C([H])([H])[H]             ,5.337242168,Inactive,221.32,1,3,0,1,3.713,12.89,0.181968781,-673.4902576,2.5205,-0.20174,-0.04996,0.15178,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-33
502,Non-Steroid,[H]/C1=C(\[H])C(=C3/C(=C1/[H])C(=C([H])C2=C([H])N=C([H])C([H])=C2[H])C([H])([H])C3([H])[H])C([H])([H])[H]             ,5.326058001,Inactive,221.32,1,3,0,1,3.713,12.89,0.172743375,-673.4849413,2.5959,-0.20537,-0.04421,0.16116,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-34
503,Non-Steroid,[H]/C1=C(\[H])C(=C3/C(=C1/[H])C(=C([H])C2=C([H])C([H])=C([H])N=C2[H])C([H])([H])C3([H])[H])C([H])([H])[H]             ,4.898596649,Inactive,221.32,1,3,0,1,3.713,12.89,0.172717281,-673.4849495,2.5946,-0.20538,-0.0442,0.16118,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-35
504,Non-Steroid,[F]C=1C([H])=C([H])C([H])=C2C=1C([H])([H])C([H])([H])C2=C([H])C3=C([H])N=C([H])C([H])=C3[H]                ,5.742321425,Inactive,225.28,1,3,0,2,3.432,12.89,0.176128241,-733.4064262,1.6561,-0.2097,-0.05784,0.15186,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-36
505,Non-Steroid,[F]C=1C([H])=C([H])C([H])=C2C=1C([H])([H])C([H])([H])C2=C([H])C3=C([H])C([H])=C([H])N=C3[H]                ,6.744727495,Active,225.28,1,3,0,2,3.432,12.89,0.176575724,-733.4060069,2.3204,-0.20989,-0.05636,0.15353,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-37
506,Non-Steroid,[Cl]C=1C([H])=C([H])C([H])=C2C=1C([H])([H])C([H])([H])C2=C([H])C3=C([H])N=C([H])C([H])=C3[H]               ,6.886056648,Active,241.73,1,3,0,1,3.891,12.89,0.162302828,-1093.769568,1.1484,-0.21185,-0.06089,0.15096,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-38
507,Non-Steroid,[Cl]C=1C([H])=C([H])C([H])=C2C=1C([H])([H])C([H])([H])C2=C([H])C3=C([H])C([H])=C([H])N=C3[H]               ,6.638272164,Active,241.73,1,3,0,1,3.891,12.89,0.162748034,-1093.769122,2.6318,-0.21207,-0.05945,0.15262,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-39
508,Non-Steroid,[H]/C1=C(\[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])C([H])=NC([H])=C2[H])C([H])([H])C3([H])[H]             ,5.173925197,Inactive,207.29,1,3,0,1,3.227,12.89,0.168234172,-634.167722,3.4634,-0.2141,-0.05428,0.15982,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-40
510,Non-Steroid,[H]/C1=C(\[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])C([H])=NC([H])=C2[H])C([H])([H])C([H])([H])C3([H])[H]  ,6.187086643,Active,221.32,1,3,0,1,3.683,12.89,0.167383938,-673.4860808,3.1964,-0.21578,-0.05416,0.16162,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-41
512,Non-Steroid,[F]/C1=C(\[H])C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])C([H])=NC([H])=C3[H]             ,6.096910013,Active,225.28,1,3,0,2,3.432,12.89,0.191542345,-733.4067696,2.235,-0.21243,-0.06052,0.15191,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-42
514,Non-Steroid,[Cl]/C1=C(\[H])C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])C([H])=NC([H])=C3[H]                                ,5.701146924,Inactive,241.73,1,3,0,1,3.891,12.89,0.166735552,-1093.76933,1.4833,-0.21628,-0.06606,0.15022,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-43
515,Non-Steroid,[Br]/C1=C(\[H])C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])C([H])=NC([H])=C3[H]                                ,5.468521083,Inactive,286.18,1,3,0,1,3.975,12.89,0.172421621,-3205.278138,1.5806,-0.21567,-0.06633,0.14934,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-44
517,Non-Steroid,[H]/C1=C(\OC([H])([H])[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])C([H])=NC([H])=C2[H])C([H])([H])C3([H])[H]                     ,5.42945706,Inactive,237.32,2,3,0,2,3.21,22.12,0.192954636,-748.6912188,3.1246,-0.2011,-0.04913,0.15197,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-45
518,Non-Steroid,[H]/C1=C(\OC([H])([H])[H])C([H])=C3/C(=C1/[H])C(=C([H])C2=C([H])C([H])=NC([H])=C2[H])C([H])([H])C([H])([H])C3([H])[H]          ,6.096910013,Active,251.35,2,3,0,2,3.666,22.12,0.189596444,-788.0096125,4.7636,-0.20152,-0.04857,0.15295,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-46
520,Non-Steroid,[H]/C1=C(\OC([H])([H])[H])C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])C([H])=NC([H])=C3[H]                     ,6.552841969,Active,237.32,2,3,0,2,3.21,22.12,0.193556515,-748.6951997,4.8963,-0.20701,-0.05728,0.14973,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-47
522,Non-Steroid,[H]C=1C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C=1C([H])([H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])C([H])=NC([H])=C3[H] ,7.045757491,Active,281.38,3,3,0,3,3.65,31.35,0.2022231,-902.5245175,5.499,-0.20009,-0.04897,0.15112,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-48
523,Non-Steroid,[H]/C1=C(/C([H])=C2/C(=C1/[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])C([H])=NC([H])=C3[H])C([H])([H])[H]                       ,5.89279003,Inactive,221.32,1,3,0,1,3.713,12.89,0.186017469,-673.4912795,3.8452,-0.2086,-0.05733,0.15127,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-49
525,Non-Steroid,[H]/C1=C(\OC([H])([H])[H])C([H])=C3/C(=C1/[H])C(=C([H])C=2[S]C([H])=NC=2[H])C([H])([H])C3([H])[H]                               ,5.363512104,Inactive,243.35,2,3,0,2,3.108,50.36,0.1988029,-1069.454478,1.8955,-0.19469,-0.04815,0.14654,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-50
527,Non-Steroid,[F]C=1C([H])=C([H])C2=C(C=1[H])C([H])([H])C([H])([H])C2=C([H])C3=C([H])N=C([H])N=C3[H]                         ,5.127843727,Inactive,226.27,1,3,0,3,2.804,25.78,0.196952571,-749.4456016,2.3649,-0.21394,-0.06312,0.15082,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-51
528,Non-Steroid,[F]C=1C([H])=C([H])C2=C(C=1[H])C([H])([H])C([H])([H])C2=C([H])C3=C4/C(=C(/[H])C([H])=C3[H])C([H])=NC([H])=C4[H],6.142667504,Active,275.34,1,4,0,2,4.341,12.89,0.178423143,-887.0444574,2.1986,-0.20831,-0.05816,0.15015,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-52
530,Non-Steroid,[H]/C1=C(\[H])C([H])=C2/C(=C1/[H])C(C3=C2C([H])=C([H])C([H])=C3[H])=C([H])C4=C([H])C([H])=C([H])N=C4[H]                         ,5.317854924,Inactive,255.33,1,4,0,1,3.833,12.89,0.142048939,-786.6038646,2.0259,-0.2145,-0.07019,0.14431,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-53
531,Non-Steroid,[H]/C1=C(\[H])C([H])=C2/C(=C1/[H])C(C3=C2C([H])=C([H])C([H])=C3[H])=C([H])C4=C([H])C([H])=NC([H])=C4[H]                         ,5.562249437,Inactive,255.33,1,4,0,1,3.833,12.89,0.146177061,-786.6040483,2.3036,-0.21849,-0.07622,0.14227,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-54
533,Non-Steroid,C[C@H](C1=CC=CC=C1/2)CC2=C/C3=CN=CC=C3,5.552841969,Inactive,221.32,1,3,0,1,3.478,12.89,0.164307375,-673.481317,2.4016,-0.20732,-0.04662,0.1607,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-55
534,Non-Steroid,C12=CC=CC=C1/C(C[C@@H]2C3=CC=CC=C3)=C/C4=CC=CN=C4,5.391473966,Inactive,283.39,2,4,0,1,4.511,12.89,0.157502026,-865.2159336,2.2798,-0.20922,-0.04837,0.16085,Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies,Eur J Med Chem. 2010;45(9):4307-56
535,Non-Steroid,ClC(C(Cl)=C1)=CC=C1SC(CN2C=NC=C2)C3=CC=C(OC)C=C3,7.602059991,Active,379.33,6,3,0,2,5.038,52.35,0.172394375,-2198.832762,3.1366,-0.2194,-0.04536,0.17404,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-50
536,Non-Steroid,OC(C=C(OCO1)C1=C2)=C2C(C3=CC(OCO4)=C4C=C3)N5C=NC=C5,7.603800653,Active,338.34,3,5,1,6,2.388,74.97,0.249446308,-1179.895385,4.5199,-0.20256,-0.01777,0.18479,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-51
537,Non-Steroid,OC(C=C(OCO1)C1=C2)=C2C(C3=CC=C(F)C=C3)N4C=NC=C4,8.27572413,Active,312.32,3,4,1,5,2.825,56.51,0.235302694,-1090.600217,4.1808,-0.20607,-0.03133,0.17474,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-52
538,Non-Steroid,OC(C=C(OCO1)C1=C2)=C2C(C3=CC=C(OC)C=C3)N4C=NC=C4,7.259637311,Active,324.36,4,4,1,5,2.603,65.74,0.2338165,-1105.889711,6.0472,-0.19952,-0.01173,0.18779,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-53
539,Non-Steroid,O=CC1=C(CN2C=NC=C2)C3=CC([N+]([O-])=O)=CC=C3N1CC4=CC=CC=C4,6.720561212,Active,360.4,6,4,0,4,3.535,85.64,0.178837395,-1216.059536,3.7586,-0.22535,-0.10128,0.12407,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-54
540,Non-Steroid,CC1=C(CCN2C=CN=C2)C(N3C=CN=C3)=C4C(C=CC(Cl)=C4)=N1,7.017728767,Active,337.84,4,4,0,3,2.631,48.53,0.197124025,-1429.502244,4.0312,-0.22586,-0.0795,0.14636,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-55
541,Non-Steroid,COC1=CC=C(C2=CN=NN2CC3=CC=CO3)C=C1,5.508638306,Inactive,255.3,4,3,0,4,2.785,53.08,0.201820938,-855.9440001,5.5173,-0.21822,-0.01886,0.19936,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-56
542,Non-Steroid,C1(C2=CN=CC=C2)=NC(C3=CC=CN=C3)=CC(C4=CC=CC=C4)=C1,4.330683119,Inactive,309.39,3,4,0,3,3.79,38.67,0.162169128,-973.5345314,6.2551,-0.23268,-0.05843,0.17425,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-57
543,Non-Steroid,COC1=CC=C(N=C(C=C(Cl)C=C2)C2=C3NC4=CC=CN=C4)C3=C1,7.119186408,Active,335.81,3,4,1,4,4.401,47.04,0.210797342,-1432.125998,5.1531,-0.20232,-0.07981,0.12251,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-58
544,Non-Steroid,OC1=CC=C(CC2=C(C=CC(OC)=C3O)C3=CN=C2)C=C1,7.539102157,Active,281.33,3,3,2,4,3.011,62.58,0.225184667,-937.2387353,1.1087,-0.20673,-0.0476,0.15913,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-59
545,Non-Steroid,COC1=C(O)C2=CN=CC(CC3=CC=CC([N+]([O-])=O)=C3)=C2C=C1,5.853871964,Inactive,310.33,4,3,1,5,3.173,88.17,0.19815373,-1066.399663,4.2682,-0.21249,-0.05659,0.1559,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-60
546,Non-Steroid,O=[N+](C1=CC=C2C(N=C(C3=NC=CC=C3)N2CCC4=CC=NC=C4)=C1)[O-],5.677780705,Inactive,345.39,5,4,0,5,3.403,89.42,0.23173,-1157.189129,6.74,-0.2399,-0.08245,0.15745,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-61
547,Non-Steroid,OC1=CC=C(C2=NC(C3=CC=CN=C3)=C(C4=CC=C(Cl)C=C4)N2)C=C1,7.321481621,Active,347.82,3,4,2,3,4.645,61.8,0.207260615,-1470.247442,7.5456,-0.19567,-0.04826,0.14741,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-62
548,Non-Steroid,ClC(C(Cl)=NN=C1)=C1N/N=C(C2=CC=C(OC)C=C2)\C3=CC=CC=C3,5.251811973,Inactive,373.26,5,3,1,5,4.832,59.4,0.188676,-1908.888589,7.8433,-0.2086,-0.0612,0.1474,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-63
549,Non-Steroid,O=[N+](C1=CC=CC(CC2=C(C=CC=C3)C3=CN=N2)=C1)[O-],4.424812155,Inactive,265.29,3,3,0,4,2.997,71.6,0.199229871,-892.8045083,7.921,-0.23803,-0.08728,0.15075,Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors,J Med Chem. 2009;52(1):143-64
550,Steroid,CC12C(C3CC(C4=CC(CCC4(C3CC2)C)=O)CCCCC)CCC1=O,6.638272164,Active,356.6,4,4,0,2,5.37,34.14,0.20415079,-1086.676606,4.7971,-0.22973,-0.04618,0.18355,"Further studies on 6-alkylandrost-4-ene-3,17-diones as aromatase inhibitors: elongation of the 6-alkyl chain",Steroids. 1995;60(8):506-11
551,Steroid,CC12C(C3CC(C4=CC(CCC4(C3CC2)C)=O)CCCCCC)CCC1=O,6.366531544,Active,370.63,5,4,0,2,5.827,34.14,0.203339738,-1125.985817,4.8449,-0.22956,-0.04615,0.18341,"Further studies on 6-alkylandrost-4-ene-3,17-diones as aromatase inhibitors: elongation of the 6-alkyl chain",Steroids. 1995;60(8):506-11
552,Steroid,CC12C(C3CC(C4=CC(CCC4(C3CC2)C)=O)CCCCCCCC)CCC1=O,5.744727495,Inactive,398.69,7,4,0,2,6.739,34.14,0.200029155,-1204.616559,4.995,-0.22916,-0.04557,0.18359,"Further studies on 6-alkylandrost-4-ene-3,17-diones as aromatase inhibitors: elongation of the 6-alkyl chain",Steroids. 1995;60(8):506-11
556,Non-Steroid,N#CC(C=CC(CN1C=NC=N1)=C2)=C2C3=CC=C(OS(=O)(N)=O)C=C3,8.698970004,Active,355.41,5,3,2,7,1.637,132.27,0.276044605,-1515.047491,6.7317,-0.24868,-0.0675,0.18118,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-70
557,Non-Steroid,N#CC(C=CC(CN1C=NC=N1)=C2)=C2C3=CC=C(OS(=O)(N(C)C)=O)C=C3,9.301029996,Active,383.47,6,3,0,7,2.451,109.49,0.254977977,-1593.665041,4.0684,-0.2445,-0.06472,0.17978,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-71
558,Non-Steroid,ClC1=C(OS(=O)(N)=O)C=CC(C2=C(C#N)C=CC(CN3C=NC=N3)=C2)=C1,9.301029996,Active,389.85,5,3,2,7,2.302,132.27,0.272568105,-1974.636671,7.2755,-0.25193,-0.07219,0.17974,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-72
559,Non-Steroid,ClC1=C(OS(=O)(N(C)C)=O)C=CC(C2=C(C#N)C=CC(CN3C=NC=N3)=C2)=C1,8.619788758,Active,417.91,6,3,0,7,3.115,109.49,0.25414125,-2053.255509,6.9458,-0.2499,-0.07125,0.17865,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-73
560,Non-Steroid,ClC1=C(OS(=O)(N)=O)C=C(C2=C(C#N)C=CC(CN3C=NC=N3)=C2)C=C1,9.455931956,Active,389.85,5,3,2,7,2.302,132.27,0.271862316,-1974.639239,6.0399,-0.24925,-0.07047,0.17878,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-74
562,Non-Steroid,O=S(OC1=CC=C(C2=CC=C(C#N)C(CN3C=NC=N3)=C2)C=C1)(N)=O,6.754487332,Active,355.41,5,3,2,7,1.637,132.27,0.278517658,-1515.051856,2.5009,-0.24989,-0.07666,0.17323,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-75
563,Non-Steroid,ClC1=C(OS(=O)(N)=O)C=CC(C2=CC=C(C#N)C(CN3C=NC=N3)=C2)=C1,6.835647144,Active,389.85,5,3,2,7,2.302,132.27,0.275097763,-1974.641036,3.0152,-0.25389,-0.08135,0.17254,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-76
564,Non-Steroid,O=S(OC1=CC=C(C2=CC(C#N)=CC(CN3C=NC=N3)=C2)C=C1)(N)=O,6.552841969,Active,355.41,5,3,2,7,1.637,132.27,0.278237711,-1515.05014,4.9547,-0.25432,-0.07098,0.18334,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-77
565,Non-Steroid,ClC1=C(OS(=O)(N)=O)C=CC(C2=CC(C#N)=CC(CN3C=NC=N3)=C2)=C1,7.096910013,Active,389.85,5,3,2,7,2.302,132.27,0.275558737,-1974.63966,5.7361,-0.2539,-0.07115,0.18275,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-78
566,Non-Steroid,O=S(OC1=CC=C(C2=CC=CC(CN3C=NC=N3)=C2)C=C1)(N)=O,6.560667306,Active,330.4,5,3,2,6,1.758,108.48,0.267162297,-1422.809103,3.8193,-0.23476,-0.04195,0.19281,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-79
567,Non-Steroid,ClC1=C(OS(=O)(N)=O)C=CC(C2=CC=CC(CN3C=NC=N3)=C2)=C1,7.15490196,Active,364.84,5,3,2,6,2.423,108.48,0.263709054,-1882.398848,4.0669,-0.23976,-0.04937,0.19039,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-80
568,Non-Steroid,O=S(OC1=CC=C(C2=C(C#N)C=C(CN3C=NC=N3)C=C2)C=C1)(N)=O,6.54668166,Active,355.41,5,3,2,7,1.637,132.27,0.275397342,-1515.048118,5.2745,-0.24956,-0.06953,0.18003,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-81
569,Non-Steroid,ClC1=C(OS(=O)(N)=O)C=CC(C2=C(C#N)C=C(CN3C=NC=N3)C=C2)=C1,6.243363892,Active,389.85,5,3,2,7,2.302,132.27,0.271754526,-1974.636705,5.6088,-0.25327,-0.07365,0.17962,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-82
570,Non-Steroid,ClC1=C(OS(=O)(N)=O)C=CC(C2=CC(C#N)=CC=C2CN3C=NC=N3)=C1,8.721246399,Active,389.85,5,3,2,7,2.302,132.27,0.267015684,-1974.633956,4.5546,-0.26304,-0.07697,0.18607,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-83
571,Non-Steroid,CC(C)(C#N)C1=CC(CN2C=NC=N2)=CC(C3=CC=C(OS(=O)(N)=O)C=C3)=C1,7.903089987,Active,397.5,6,3,2,7,2.551,132.27,0.271067,-1632.987837,4.9391,-0.24163,-0.04826,0.19337,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-84
572,Non-Steroid,ClC1=C(OS(=O)(N)=O)C=CC(C2=CC(C(C)(C)C#N)=CC(CN3C=NC=N3)=C2)=C1,9.522878745,Active,431.94,6,3,2,7,3.216,132.27,0.268272553,-2092.576645,7.255,-0.24277,-0.05434,0.18843,Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template,J Med Chem. 2010;53(5):2155-85
573,Non-Steroid,O=C(C1=C(CN2C=NC=C2)C=CC=C1)C3=CC=CC=C3,6.251811973,Active,262.33,4,3,0,2,2.911,34.89,0.167612618,-840.9547961,3.2155,-0.22461,-0.06937,0.15524,Imidazolylmethylbenzophenones as highly potent aromatase inhibitors,J Med Chem. 2007;50(15):3420-2
574,Non-Steroid,O=C(C1=CC(CN2C=NC=C2)=CC=C1)C3=CC=CC=C3,8.13667714,Active,262.33,4,3,0,2,2.911,34.89,0.173454324,-840.9608933,4.0608,-0.2257,-0.07088,0.15482,Imidazolylmethylbenzophenones as highly potent aromatase inhibitors,J Med Chem. 2007;50(15):3420-3
575,Non-Steroid,O=C(C1=C(CN2C=NC=C2)C=CC=C1)C3=CC=C(C4=CC=CC=C4)C=C3,6.585026652,Active,338.43,5,4,0,2,4.429,34.89,0.162479523,-1072.012764,3.7238,-0.22429,-0.07332,0.15097,Imidazolylmethylbenzophenones as highly potent aromatase inhibitors,J Med Chem. 2007;50(15):3420-4
576,Non-Steroid,O=C(C1=CC(CN2C=NC=C2)=CC=C1)C3=CC=C(C4=CC=CC=C4)C=C3,8.27572413,Active,338.43,5,4,0,2,4.429,34.89,0.167097841,-1072.018724,4.6146,-0.22542,-0.07332,0.1521,Imidazolylmethylbenzophenones as highly potent aromatase inhibitors,J Med Chem. 2007;50(15):3420-5
578,Non-Steroid,O=C(C1=CC(CN2C=NC=C2)=CC=C1[N+]([O-])=O)C3=CC=CC=C3,7.508638306,Active,307.33,5,3,0,4,2.805,80.71,0.198636528,-1045.452054,4.1434,-0.23623,-0.10009,0.13614,Imidazolylmethylbenzophenones as highly potent aromatase inhibitors,J Med Chem. 2007;50(15):3420-6
579,Non-Steroid,O=C(C1=CC([N+]([O-])=O)=CC=C1CN2C=NC=C2)C3=CC=CC=C3,7.586700236,Active,307.33,5,3,0,4,2.805,80.71,0.174875333,-1045.334418,1.9783,-0.22278,-0.08251,0.14027,Imidazolylmethylbenzophenones as highly potent aromatase inhibitors,J Med Chem. 2007;50(15):3420-7
580,Non-Steroid,O=C(C1=CC([N+]([O-])=O)=CC=C1CN2C=NC=C2)C3=CC=C(C4=CC=CC=C4)C=C3,7.752026734,Active,383.43,6,4,0,4,4.324,80.71,0.188141674,-1276.516048,0.301,-0.22569,-0.10284,0.12285,Imidazolylmethylbenzophenones as highly potent aromatase inhibitors,J Med Chem. 2007;50(15):3420-8
581,Non-Steroid,O=C(C1=CC(Br)=CC=C1CN2C=NC=C2)C3=CC=CC=C3,6.397940009,Active,341.22,4,3,0,2,3.659,34.89,0.172078529,-3412.062699,3.2048,-0.21933,-0.07797,0.14136,Imidazolylmethylbenzophenones as highly potent aromatase inhibitors,J Med Chem. 2007;50(15):3420-9
584,Non-Steroid,O=C1C(CN2C=CN=C2)=C(C3=CC=CC=C3)OC4=CC(OC)=CC=C41,6.259637311,Active,332.38,4,4,0,4,2.757,57.26,0.205363829,-1106.923257,8.307,-0.20956,-0.06619,0.14337,Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme,J Med Chem. 2006;49(15):4777-80
585,Non-Steroid,O=C1C(CN2C=CN=C2)=C(C3=CC=C([N+]([O-])=O)C=C3)OC4=CC(OC)=CC=C41,6.327902142,Active,377.38,5,4,0,6,2.651,103.08,0.227758581,-1311.420002,7.8495,-0.21566,-0.10768,0.10798,Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme,J Med Chem. 2006;49(15):4777-81
586,Non-Steroid,O=C1C(CN2C=CN=C2)=C(C3=CC=C(Br)C=C3)OC4=CC(OC)=CC=C41,5.387216143,Inactive,411.27,4,4,0,4,3.505,57.26,0.20663261,-3678.026975,8.0166,-0.21324,-0.07279,0.14045,Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme,J Med Chem. 2006;49(15):4777-82
587,Non-Steroid,O=C1C(CN2C=CN=C2)=C(C3=CC=C(C#N)C=C3)OC4=CC(OC)=CC=C41,5.744727495,Inactive,357.39,4,4,0,5,2.636,81.05,0.216788,-1199.162256,7.7725,-0.21473,-0.08635,0.12838,Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme,J Med Chem. 2006;49(15):4777-83
588,Non-Steroid,O=C1C(CN2C=CN=C2)=C(C3=CC=C([H])C=C3)OC4=CC([H])=CC=C41,7.148741651,Active,302.35,3,4,0,3,2.773,48.03,0.187521973,-992.3983472,6.8875,-0.2116,-0.07202,0.13958,Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme,J Med Chem. 2006;49(15):4777-84
589,Non-Steroid,O=C1C(CN2C=CN=C2)=C(C3=CC=C([N+]([O-])=O)C=C3)OC4=CC([H])=CC=C41,7.346787486,Active,347.35,4,4,0,5,2.668,93.85,0.213089615,-1196.894835,6.9973,-0.21751,-0.1095,0.10801,Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme,J Med Chem. 2006;49(15):4777-85
590,Non-Steroid,O=C1C(CN2C=CN=C2)=C(C3=CC=C(Br)C=C3)OC4=CC([H])=CC=C41,6.356547324,Active,381.24,3,4,0,3,3.522,48.03,0.188808973,-3563.501972,6.7105,-0.21528,-0.07812,0.13716,Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme,J Med Chem. 2006;49(15):4777-86
591,Non-Steroid,O=C1C(CN2C=CN=C2)=C(C3=CC=C(C#N)C=C3)OC4=CC([H])=CC=C41,7.161150909,Active,327.36,3,4,0,4,2.652,71.82,0.201717237,-1084.638611,7.6207,-0.2202,-0.09322,0.12698,Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme,J Med Chem. 2006;49(15):4777-87
592,Non-Steroid,O=C1C(CN2C=CN=C2)=C(C3=CC=C(OC)C=C3)OC4=CC([H])=CC=C41,7.096910013,Active,332.38,4,4,0,4,2.757,57.26,0.205339976,-1106.923147,6.1855,-0.21077,-0.06754,0.14323,Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme,J Med Chem. 2006;49(15):4777-88
593,Non-Steroid,N1(CC=NC1)CC2=CC=CC=C2,3.397940009,Inactive,160.24,2,2,0,2,1.682,15.6,0.157562333,-497.7590684,1.7816,-0.216,-0.00419,0.21181,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-53
594,Non-Steroid,N1(C=CN=C1)CCC2=CC=CC=C2,3.522878745,Inactive,172.25,3,2,0,1,1.828,17.82,0.16741972,-535.8934832,3.8097,-0.21991,-0.00439,0.21552,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-54
595,Non-Steroid,N1(C=CN=C1)CCCC2=CC=CC=C2,4.455931956,Inactive,186.28,4,2,0,1,2.284,17.82,0.167846857,-575.2071824,4.1353,-0.21962,-0.00449,0.21513,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-55
596,Non-Steroid,C1(C(CC2N=CN=C2)CC3=CC=CC=C3)=CC=CC=C1,4.346787486,Inactive,262.38,5,3,0,2,4.105,24.72,0.164217263,-806.2302703,2.1814,-0.23149,-0.04784,0.18365,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-56
597,Non-Steroid,N1(C=CN=C1)CCCCCC2=CC=CC=C2,4.301029996,Inactive,214.34,6,2,0,1,3.196,17.82,0.172684441,-653.8276797,4.6273,-0.21108,-0.00912,0.20196,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-57
598,Non-Steroid,C1(C(C2N=CN=C2)C3=CC=CC=C3)=CC=CC=C1,4.602059991,Inactive,234.32,3,3,0,2,3.26,24.72,0.162049094,-727.6025036,2.2572,-0.23573,-0.05316,0.18257,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-58
599,Non-Steroid,C1(C(CC2N=CN=C2)C3=CC=CC=C3)=CC=CC=C1,4.30980392,Inactive,248.35,4,3,0,2,3.649,24.72,0.163656,-766.9135751,1.9115,-0.23259,-0.0536,0.17899,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-59
600,Non-Steroid,C1(C(C2N=CN=C2)CCCCC3=CC=CC=C3)=CC=CC=C1,4.59345982,Inactive,290.44,7,3,0,2,5.085,24.72,0.166292341,-884.8502984,1.9084,-0.23473,-0.0529,0.18183,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-60
601,Non-Steroid,C1(C(CCC2N=CN=C2)C3=CC=CC=C3)=CC=CC=C1,4.823908741,Inactive,262.38,5,3,0,2,4.105,24.72,0.164988842,-806.2319322,1.8987,-0.23226,-0.05213,0.18013,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-61
602,Non-Steroid,C1(C(CCCCC2N=CN=C2)C3=CC=CC=C3)=CC=CC=C1,5.769551079,Inactive,290.44,7,3,0,2,5.017,24.72,0.166216273,-884.8529667,2.3229,-0.23382,-0.04996,0.18386,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-62
603,Non-Steroid,C1(C(CCCCCC2N=CN=C2)C3=CC=CC=C3)=CC=CC=C1,4.838631998,Inactive,304.47,8,3,0,2,5.473,24.72,0.166819426,-924.1679782,2.1731,-0.22996,-0.05174,0.17822,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-63
604,Non-Steroid,C1(C(C2N=CN=C2)CCC3=CC=CC=C3)=CC=CC=C1,5.346787486,Inactive,262.38,5,3,0,2,4.172,24.72,0.165595658,-806.2321214,2.1599,-0.23398,-0.05222,0.18176,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-64
605,Non-Steroid,C1(C(C2=CC=CC=C2)CCN3C=CN=C3)=CC=CC=C1,4.698970004,Inactive,262.38,5,3,0,1,3.568,17.82,0.161369395,-806.2498579,4.5696,-0.21756,-0.015,0.20256,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-65
606,Non-Steroid,C1(C(CCC2=CC=CC=C2)CN3C=CN=C3)=CC=CC=C1,5.259637311,Inactive,276.41,6,3,0,1,4.092,17.82,0.162481049,-845.5656614,4.2619,-0.21551,-0.01118,0.20433,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-66
607,Non-Steroid,C1(C(CC2=CC=CC=C2)CCN3C=CN=C3)=CC=CC=C1,5.124938737,Inactive,276.41,6,3,0,1,4.024,17.82,0.163058585,-845.5662816,4.4756,-0.21554,-0.0101,0.20544,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-67
608,Non-Steroid,C1(C(C2=CC=CC=C2)CCCN3C=CN=C3)=CC=CC=C1,4.795880017,Inactive,276.41,6,3,0,1,4.024,17.82,0.163402366,-845.5617551,4.4413,-0.21451,-0.01375,0.20076,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-68
609,Non-Steroid,C1(C(CC2=CC=CC=C2)CCCN3C=CN=C3)=CC=CC=C1,5.327902142,Inactive,290.44,7,3,0,1,4.48,17.82,0.164763205,-884.8781576,4.5752,-0.21434,-0.01022,0.20412,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-69
610,Non-Steroid,CC(C=C1)=CC=C1C(CC2N=CNC2)C3=CC=CC=C3,5.148741651,Inactive,264.4,4,3,1,2,3.76,24.39,0.184688425,-807.4567643,2.5686,-0.21737,-0.00058,0.21679,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-70
611,Non-Steroid,N#CC(C=C1)=CC=C1C(CC2N=CNC2)C3=CC=CC=C3,6.318758763,Active,275.38,4,3,1,3,3.153,48.18,0.187964421,-860.3833734,7.1091,-0.2268,-0.04537,0.18143,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-71
612,Non-Steroid,FC(C=C1)=CC=C1C(CC2N=CNC2)C3=CC=CC=C3,4.995678626,Inactive,268.36,4,3,1,3,3.48,24.39,0.189277568,-867.3721983,3.7558,-0.22073,-0.00834,0.21239,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-72
613,Non-Steroid,CC1=CC=CC=C1C(CC2N=CNC2)C3=CC=CC=C3C,4.48148606,Inactive,278.43,4,3,1,2,4.246,24.39,0.189082907,-846.754601,2.8519,-0.21629,-0.0042,0.21209,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-73
614,Non-Steroid,CC1=CC(C(CC2N=CNC2)C3=CC=CC(C)=C3)=CC=C1,4.698970004,Inactive,278.43,4,3,1,2,4.246,24.39,0.196066186,-846.7746821,2.4133,-0.21704,0.00171,0.21875,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-74
615,Non-Steroid,CC(C=C1)=CC=C1C(CC2N=CNC2)C3=CC=C(C)C=C3,4.853871964,Inactive,278.43,4,3,1,2,4.246,24.39,0.195077605,-846.7746612,2.4382,-0.2166,0.00077,0.21737,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-75
616,Non-Steroid,CCC(C=C1)=CC=C1C(CCC2N=CNC2)C3=CC=CC=C3,5.070581074,Inactive,292.46,6,3,1,2,4.673,24.39,0.184328826,-886.0820627,2.7966,-0.21883,0.0015,0.22033,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-76
617,Non-Steroid,CC1=CC=CC=C1C(CC2N=CNC2)C3=CC=CC(C)=C3,5.065501549,Inactive,278.43,4,3,1,2,4.246,24.39,0.190713767,-846.7664619,3.518,-0.21594,0.00426,0.2202,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-77
618,Non-Steroid,CC1=CC=CC=C1C(CC2N=CNC2)C3=CC=C(C)C=C3,5.494850022,Inactive,278.43,4,3,1,2,4.246,24.39,0.190647,-846.7666149,3.2935,-0.21411,0.00454,0.21865,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-78
619,Non-Steroid,COC(CC1N=CNC1)OC,5.065501549,Inactive,158.23,4,1,1,4,-0.177,42.85,0.22546656,-535.0829119,2.3541,-0.22053,0.0271,0.24763,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-79
620,Non-Steroid,FC(C(C=C1)=CC=C1C(CCC2N=CNC2)C3=CC=C(C(F)(F)F)C=C3)(F)F,3.920818754,Inactive,400.4,5,3,1,8,5.615,24.39,0.218012565,-1481.52764,4.1378,-0.22943,-0.02975,0.19968,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-80
621,Non-Steroid,FC1=CC(C(CC2N=CNC2)C3=CC=CC(F)=C3)=CC=C1,4.721246399,Inactive,286.35,4,3,1,4,3.685,24.39,0.206568027,-966.6066574,4.3516,-0.22307,-0.00938,0.21369,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-81
622,Non-Steroid,FC(C=C1)=CC=C1C(CC2N=CNC2)C3=CC=C(F)C=C3,5.301029996,Inactive,286.35,4,3,1,4,3.685,24.39,0.206017486,-966.6056429,4.057,-0.2228,-0.01134,0.21146,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-82
623,Non-Steroid,FC(C=C1)=CC=C1C(CC2N=CNC2)C3=CC=C(C(F)(F)F)C=C3,5.283996656,Inactive,336.36,4,3,1,6,4.422,24.39,0.21308405,-1204.410768,4.9553,-0.22587,-0.02386,0.20201,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-83
624,Non-Steroid,CC1=CC(CCCCC(C2N=CNC2)C3=CC=C(F)C=C3)=CC=C1,5.420216403,Inactive,324.48,7,3,1,3,5.402,24.39,0.196632306,-1024.629115,2.6763,-0.22223,-0.00634,0.21589,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-84
625,Non-Steroid,FC(C(C=C1)=CC=C1C(CC2N=CNC2)C3=CC=C(C(F)(F)F)C=C3)(F)F,4.494850022,Inactive,386.37,4,3,1,8,5.159,24.39,0.219088209,-1442.215478,5.7048,-0.22877,-0.03289,0.19588,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-85
626,Non-Steroid,FC(C=C1)=CC=C1C(CC2N=CNC2)C3=CC=C(C#N)C=C3,6.301029996,Active,293.37,4,3,1,4,3.358,48.18,0.204221632,-959.6169211,6.5378,-0.2287,-0.04584,0.18286,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-86
627,Non-Steroid,FC(C=C1)=CC=C1C(C2N=CNC2)CCCCC3=CC=C(C)C=C3,5.070581074,Inactive,324.48,7,3,1,3,5.402,24.39,0.197239469,-1024.61278,2.4528,-0.22051,-0.0098,0.21071,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-87
628,Non-Steroid,N#CC(C=C1)=CC=C1C(CC2N=CNC2)C3=CC=C(OC)C=C3,6.070581074,Active,305.41,5,3,1,4,3.137,57.41,0.204259048,-974.9058464,6.8438,-0.21439,-0.04388,0.17051,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-88
629,Non-Steroid,N#CC(C=C1)=CC=C1C(CC2N=CNC2)C3=CC=C(C#N)C=C3,6.065501549,Active,300.39,4,3,1,4,3.032,71.97,0.202248974,-952.6270608,7.7672,-0.23445,-0.05835,0.1761,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-89
630,Non-Steroid,CC1=CC=CC=C1C(CCC2N=CNC2)C3=CC=CC=C3,5.468521083,Inactive,278.43,5,3,1,2,4.216,24.39,0.179750349,-846.7639658,2.3206,-0.21812,0.00084,0.21896,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-90
631,Non-Steroid,FC(C=C1)=CC=C1C(CCN2C=CN=C2)C3=CC=CC=C3,5.301029996,Inactive,280.37,5,3,0,2,3.774,17.82,0.177531816,-905.4828789,4.5688,-0.21964,-0.02194,0.1977,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-91
632,Non-Steroid,CC1=CC(C(CCC2N=CNC2)C3=CC=CC=C3)=CC=C1,5.602059991,Inactive,278.43,5,3,1,2,4.216,24.39,0.185983047,-846.7684248,2.7043,-0.22002,0.00216,0.22218,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-92
633,Non-Steroid,FC1=CC=CC=C1C(CCC2N=CNC2)C3=CC=CC=C3,4.795880017,Inactive,282.39,5,3,1,3,3.936,24.39,0.182679175,-906.6821784,3.3134,-0.21743,-0.00387,0.21356,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-93
634,Non-Steroid,FC(C=C1)=CC=C1C(CCC2N=CNC2)C3=CC=CC=C3,5.552841969,Inactive,282.39,5,3,1,3,3.936,24.39,0.1902479,-906.6843679,3.4921,-0.22308,-0.00548,0.2176,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-94
635,Non-Steroid,CC1=CC(C(C2=CC=CC(C)=C2)CCC3N=CNC3)=CC=C1,4.552841969,Inactive,292.46,5,3,1,2,4.703,24.39,0.195825522,-886.086308,2.8879,-0.21964,0.00427,0.22391,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-95
636,Non-Steroid,CC(C=C1)=CC=C1C(C2=CC=C(C)C=C2)CCC3N=CNC3,5.455931956,Inactive,292.46,5,3,1,2,4.703,24.39,0.195276891,-886.0863019,2.9022,-0.21537,0.0024,0.21777,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-96
638,Non-Steroid,NC(C=C1)=CC=C1C(C2=CC=C(N)C=C2)CCC3N=CNC3,4.585026652,Inactive,294.44,5,3,5,4,2.237,76.43,0.227787455,-918.1559213,2.1007,-0.18321,0.0078,0.19101,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-97
639,Non-Steroid,O=[N+](C(C=C1)=CC=C1C(C2=CC=C([N+]([O-])=O)C=C2)CCC3N=CNC3)[O-],4.698970004,Inactive,354.4,7,3,1,6,3.519,116.03,0.225458455,-1216.456071,5.9458,-0.23577,-0.09259,0.14318,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-98
640,Non-Steroid,FC(C=C1)=CC=C1C(C2=CC=C(F)C=C2)CCC3N=CNC3,5.48148606,Inactive,300.38,5,3,1,4,4.141,24.39,0.2055997,-1005.917701,3.1351,-0.22493,-0.01314,0.21179,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-99
641,Non-Steroid,N#CC(C=C1)=CC=C1C(C2=CC=C(C#N)C=C2)CCC3N=CNC3,5.795880017,Inactive,314.42,5,3,1,4,3.488,71.97,0.2024395,-991.9394045,5.8184,-0.23462,-0.05639,0.17823,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-100
642,Non-Steroid,FC(C=C1)=CC=C1C(N2N=CN=C2)CCC3=CC=C(F)C=C3,5.397940009,Inactive,299.35,5,3,0,4,4.18,30.71,0.203234,-1020.75473,2.1954,-0.24147,-0.02073,0.22074,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-101
643,Non-Steroid,FC(C=C1)=CC=C1C(C2N=CNC2)CCCCC3=CC=CC=C3C,5.455931956,Inactive,324.48,7,3,1,3,5.402,24.39,0.194818347,-1024.611845,2.4459,-0.22255,-0.00798,0.21457,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-102
644,Non-Steroid,FC(C=C1)=CC=C1C(C2N=CNC2)CCCC3=CC=CC=C3,6.096910013,Active,296.42,6,3,1,3,4.459,24.39,0.188159093,-945.995722,3.0727,-0.22174,-0.01369,0.20805,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-103
645,Non-Steroid,N#CC(C=C1)=CC=C1C(C2N=CNC2)CCCC3=CC=CC=C3,6.677780705,Active,303.44,6,3,1,3,4.133,48.18,0.187182841,-939.0063427,5.1212,-0.2291,-0.05184,0.17726,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-104
646,Non-Steroid,FC(C=C1)=CC=C1C(C2N=CNC2)CCCC3=CC=C(F)C=C3,6.200659451,Active,314.41,6,3,1,4,4.665,24.39,0.202663512,-1045.22921,4.357,-0.22329,-0.01596,0.20733,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-105
647,Non-Steroid,N#CC(C=C1)=CC=C1C(C2N=CN=C2)CCC3=CC=C(C#N)C=C3,5.958607315,Inactive,312.4,5,3,0,4,3.93,72.3,0.194546525,-990.7185505,4.0236,-0.25951,-0.07228,0.18723,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-106
648,Non-Steroid,FC(C=C1)=CC=C1CCCC(C2N=CNC2)C3=CC=C(C#N)C=C3,6.638272164,Active,321.43,6,3,1,4,4.338,48.18,0.200079523,-1038.238518,6.6762,-0.23068,-0.0405,0.19018,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-107
649,Non-Steroid,FC(C=C1)=CC=C1C(C2N=CNC2)CCC3=CC=CC=C3,6.15490196,Active,282.39,5,3,1,3,4.003,24.39,0.1886589,-906.686332,3.1102,-0.22255,-0.0121,0.21045,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-108
650,Non-Steroid,FC(C=C1)=CC=C1C(C2N=CNC2)CCC3=CC=C(F)C=C3,5.657577319,Inactive,300.38,5,3,1,4,4.209,24.39,0.20423875,-1005.919851,4.3672,-0.22443,-0.01403,0.2104,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-109
651,Non-Steroid,FC(C=C1)=CC=C1C(CC2N=CNC2)CC3=CC=CC=C3,5.356547324,Inactive,282.39,5,3,1,3,3.936,24.39,0.187733725,-906.6839826,3.6323,-0.21743,-0.00222,0.21521,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-110
653,Non-Steroid,FC(C=C1)=CC=C1C(CC2N=CNC2)CCC3=CC=CC=C3,5.657577319,Inactive,296.42,6,3,1,3,4.392,24.39,0.18622007,-945.9951655,3.9388,-0.21999,0.00053,0.22052,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-111
654,Non-Steroid,FC(C=C1)=CC=C1C(CC2N=CNC2)CCC3=CC=C(F)C=C3,5.886056648,Inactive,314.41,6,3,1,4,4.597,24.39,0.200572628,-1045.228495,4.3224,-0.22148,-0.00639,0.21509,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-112
655,Non-Steroid,FC(C=C1)=CC=C1CCC(CC2N=CNC2)C3=CC=C(C#N)C=C3,6.301029996,Active,321.43,6,3,1,4,4.271,48.18,0.200816,-1038.242943,2.883,-0.22458,-0.05292,0.17166,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-113
656,Non-Steroid,FC(C=C1)=CC=C1C(CCN2C=CN=C2)C3=CC=C(F)C=C3,5.657577319,Inactive,298.36,5,3,0,3,3.979,17.82,0.193371289,-1004.715678,3.6652,-0.22162,-0.02861,0.19301,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-114
659,Non-Steroid,FC(C=C1)=CC=C1CCC(N2N=CN=C2)C3=CC=C(C#N)C=C3,6.721246399,Active,306.37,5,3,0,4,3.853,54.5,0.2009835,-1013.771238,3.97,-0.24258,-0.06053,0.18205,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-115
660,Non-Steroid,FC(C=C1)=CC=C1CCCC(N2C=CN=C2)C3=CC=C(C#N)C=C3,7.397940009,Active,319.41,6,3,0,3,4.437,41.61,0.190399929,-1037.043422,3.7178,-0.23561,-0.05945,0.17616,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-116
661,Non-Steroid,FC(C=C1)=CC=C1CCCC(N2N=CN=C2)C3=CC=C(C#N)C=C3,6.920818754,Active,320.4,6,3,0,4,4.31,54.5,0.199587634,-1053.08046,3.5581,-0.2429,-0.06088,0.18202,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-117
662,Non-Steroid,FC(C=C1)=CC=C1CCC(N2C=CN=C2)C3=CC=C(C#N)C=C3,6.468521083,Active,305.38,5,3,0,3,3.981,41.61,0.191244179,-997.7305338,3.7181,-0.23617,-0.06004,0.17613,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-118
664,Non-Steroid,FC(C=C1)=CC=C1CC(C2N=CN=C2)C3=CC=C(C#N)C=C3,6.48148606,Active,291.35,4,3,0,4,3.801,48.51,0.196167333,-958.3930004,5.2151,-0.24822,-0.0684,0.17982,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-119
665,Non-Steroid,FC(C=C1)=CC=C1CCC(C2N=CN=C2)C3=CC=C(C#N)C=C3,6.677780705,Active,305.38,5,3,0,4,4.257,48.51,0.194594897,-997.7048161,4.2985,-0.24639,-0.06883,0.17756,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-120
667,Non-Steroid,OC(C1=CC=C(F)C=C1)C(N2N=CN=C2)C3=CC=C(C#N)C=C3,4.37675071,Inactive,308.34,4,3,1,5,2.565,74.73,0.21282725,-1049.664452,1.9076,-0.24734,-0.0685,0.17884,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-121
669,Non-Steroid,FC(C=C1)=CC=C1CC(N2N=CN=C2)C3=CC=C(C#N)C=C3,7.301029996,Active,292.34,4,3,0,4,3.397,54.5,0.203405543,-974.4531703,4.436,-0.25577,-0.06059,0.19518,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-122
671,Non-Steroid,FC(C=C1)=CC=C1CCC(N2N=CN=C2)C3=CC=C(C#N)C=C3,7.22184875,Active,306.37,5,3,0,4,3.853,54.5,0.2009835,-1013.771238,3.97,-0.24258,-0.06053,0.18205,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-123
672,Non-Steroid,OC(C1=CC=C(F)C=C1)C(N2N=CN=C2)C3=CC=C(C#N)C=C3,4.769551079,Inactive,308.34,4,3,1,5,2.565,74.73,0.21282725,-1049.664452,1.9076,-0.24734,-0.0685,0.17884,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-124
674,Non-Steroid,OC(CC1=CC=C(F)C=C1)C(N2N=CN=C2)C3=CC=C(C#N)C=C3,6.301029996,Active,322.37,5,3,1,5,2.887,74.73,0.216527846,-1088.969555,4.5957,-0.25106,-0.06094,0.19012,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-125
676,Non-Steroid,OC(CCC1=CC=C(F)C=C1)C(N2N=CN=C2)C3=CC=C(C#N)C=C3,5.408935393,Inactive,336.4,6,3,1,5,3.343,74.73,0.212716738,-1128.281226,5.656,-0.23982,-0.06119,0.17863,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-126
678,Non-Steroid,OC(CCC1=CC=C(F)C=C1)C(C2N=CN=C2)C3=CC=C(C#N)C=C3,6.301029996,Active,335.41,6,3,1,5,3.482,68.74,0.206307907,-1112.229929,1.2973,-0.22986,-0.07243,0.15743,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-127
680,Non-Steroid,OC(C1=CC=C(F)C=C1)CC(C2N=CN=C2)C3=CC=C(C#N)C=C3,6.15490196,Active,321.38,5,3,1,5,3.155,68.74,0.20528615,-1072.919908,6.6222,-0.24922,-0.05532,0.1939,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-128
681,Non-Steroid,N#CC(C=C1)=CC=C1C(C2=CC=C(C#N)C=C2)N3C=CNC3,6,Inactive,286.36,3,3,1,4,2.08,62.85,0.187957528,-913.2773343,6.4624,-0.18338,-0.06866,0.11472,Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancer,J Comput Chem. 2010;31(12):2342-129
682,Steroid,C[C@]12C(CCCC2)CCC3C1CC[C@]4(C3CCC4=O)C,6.647817482,Active,274.49,0,4,0,1,4.685,17.07,0.18730688,-817.3297464,3.0151,-0.22729,-0.00959,0.2177,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-20
683,Steroid,C[C@]12C(CCCC2)CCC3C1CC[C@]4(C3CCC4O)C,4.522878745,Inactive,276.51,0,4,1,1,4.725,20.23,0.182886038,-818.5236973,1.6089,-0.24763,0.06709,0.31472,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-21
684,Steroid,C[C@]12C([C@H]3[C@@H](CC2)O3)CCC4C1CC[C@]5(C4CCC5=O)C,6.838631998,Active,288.47,0,5,0,2,3.315,29.6,0.190060918,-891.3085094,3.0221,-0.23001,-0.0122,0.21781,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-22
685,Steroid,C[C@]12C([C@H]3[C@@H](CC2)O3)CCC4C1CC[C@]5(C4CCC5O)C,5.187086643,Inactive,290.49,0,5,1,2,3.355,32.76,0.185576627,-892.5026809,1.4143,-0.24957,0.06507,0.31464,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-23
686,Steroid,C[C@]12C(CCC3C1CC[C@]4(C3CCC4=O)C)=C(C(CC2)=O)O,7.37675071,Active,302.45,0,4,1,3,2.731,54.37,0.224320479,-965.3535282,2.6662,-0.22091,-0.05208,0.16883,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-24
687,Steroid,C[C@@]12C(CCC3C2CC[C@]4(C3CCC4=O)C)=CCCC1,7.22184875,Active,272.47,0,4,0,1,4.435,17.07,0.191305479,-816.1115547,2.678,-0.22518,-0.01067,0.21451,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-25
688,Steroid,C[C@@]12C(CCC2=O)C3CCC4=CCCC[C@]4(CO)C3CC1,7.30980392,Active,288.47,1,4,1,2,3.344,37.3,0.196753776,-891.2985015,2.0829,-0.22242,-0.01098,0.21144,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-26
689,Steroid,C[C@@]12C([C@H](CC3C2CC[C@]4(C3CCC4=O)C)O)=CCCC1,6.721246399,Active,288.47,0,4,1,2,3.333,37.3,0.200579163,-891.318726,2.3791,-0.22396,-0.01273,0.21123,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-27
690,Steroid,C[C@@]12C([C@@H](CC3C2CC[C@]4(C3CCC4=O)C)O)=CCCC1,7.301029996,Active,288.47,0,4,1,2,3.333,37.3,0.200234959,-891.3173328,2.8271,-0.22804,-0.01122,0.21682,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-28
691,Steroid,C[C@]12C(CCC3C1CC[C@]4(C3CCC4=O)C)=C(CCC2)OC(CCC)=O,5.823908741,Inactive,358.57,4,4,0,3,4.895,43.37,0.216257367,-1122.619428,2.2297,-0.22608,-0.01212,0.21396,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-29
692,Steroid,C[C@]12C(CCC3C1CC[C@]4(C3CCC4=O)C)=C(CCC2)OC(CCCCC)=O,5.744727495,Inactive,386.63,6,4,0,3,5.808,43.37,0.212273106,-1201.241843,2.4296,-0.22524,-0.01194,0.2133,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-30
693,Steroid,C[C@]12C(CCC3C1CC[C@]4(C3CCC4=O)C)=C(CCC2)OC(C5=CC=CC=C5)=O,6.193820026,Active,392.58,3,5,0,3,5.437,43.37,0.201346541,-1235.715887,4.1366,-0.22471,-0.04639,0.17832,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-31
694,Steroid,C[C@]12C(CCC3C1CC[C@]4(C3CCC4=O)C)=C(CCC2)OC(C)=O,6.180456064,Active,330.51,2,4,0,3,3.772,43.37,0.219675093,-1043.991222,2.2841,-0.22618,-0.01225,0.21393,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-32
695,Steroid,C[C@@]12C(CCC2=O)C3CCC4=C(OC(C)=O)CCC[C@]4(C)C3CC1,5.443697499,Inactive,330.51,2,4,0,3,3.772,43.37,0.221304222,-1043.977686,2.6622,-0.22818,-0.01202,0.21616,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-33
696,Steroid,C[C@@]12C(CCC2=O)C3C[C@H](O)C4=CCCC[C@]4(C)C3CC1,6,Inactive,288.47,0,4,1,2,3.333,37.3,0.201914571,-891.3069541,2.8898,-0.2294,-0.01094,0.21846,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-34
697,Steroid,C[C@@]12C(CCC2=O)C3C[C@@H](O)C4=CCCC[C@]4(C)C3CC1,6.026872146,Active,288.47,0,4,1,2,3.333,37.3,0.203051816,-891.3080281,4.14,-0.22652,-0.00778,0.21874,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-35
698,Steroid,C[C@@]12C(CCCC2)=CCC3C1CC[C@]4(C3CCC4=O)C,6.180456064,Active,272.47,0,4,0,1,4.435,17.07,0.191230188,-816.1119136,2.867,-0.2267,-0.01036,0.21634,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-36
699,Steroid,C[C@]12C(C3CC=C4CCCC[C@@]4(C3CC2)CO)CCC1=O,5.161150909,Inactive,288.47,1,4,1,2,3.344,37.3,0.200101184,-891.2978224,3.1377,-0.22357,-0.00756,0.21601,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-37
700,Steroid,C[C@@]12C([C@H](CCC2)O)=CCC3C1CC[C@]4(C3CCC4=O)C,6.552841969,Active,288.47,0,4,1,2,3.333,37.3,0.200560143,-891.3191616,3.4286,-0.22539,-0.00988,0.21551,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-38
701,Steroid,C[C@@]12C([C@H](CCC2)OC(C)=O)=CCC3C1CC[C@]4(C3CCC4=O)C,6.15490196,Active,330.51,2,4,0,3,3.712,43.37,0.213269667,-1043.990961,2.6955,-0.23006,-0.01256,0.2175,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-39
702,Steroid,C[C@]12C([C@H](CCC2)OC(C)=O)=CCC3C1CC[C@]4(C3CCC4=O)C,6,Inactive,330.51,2,4,0,3,3.712,43.37,0.215242074,-1043.985848,2.195,-0.22989,-0.01208,0.21781,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-40
703,Steroid,C[C@]12C(C3CC=C4[C@@H](CCC[C@@]4(C3CC2)CO)O)CCC1=O,4.958607315,Inactive,304.47,1,4,2,3,2.243,57.53,0.20759314,-966.5042961,3.9713,-0.2226,-0.00709,0.21551,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-41
704,Steroid,C[C@@]12C([C@@H](CCC2)O)=CCC3C1CC[C@]4(C3CCC4=O)C,6.065501549,Active,288.47,0,4,1,2,3.333,37.3,0.20021798,-891.3176408,4.0168,-0.22777,-0.01022,0.21755,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-42
706,Steroid,C[C@]12C(C3CC=C4[C@H](CCC[C@@]4(C3CC2)CO)O)CCC1=O,7.508638306,Active,304.47,1,4,2,3,2.243,57.53,0.21109592,-966.5140162,5.6376,-0.22696,-0.0084,0.21856,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-43
707,Steroid,C[C@]12C(C3CC=C4[C@H](CCC[C@@]4(C3CC2)CO)OC)CCC1=O,3.823908741,Inactive,318.5,2,4,1,3,2.651,46.53,0.202085057,-1005.821581,4.9221,-0.22807,-0.00955,0.21852,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-44
708,Steroid,C[C@@]12C([C@H](CCC2)C)=CCC3C1CC[C@]4(C3CCC4=O)C,5.744727495,Inactive,286.5,0,4,0,1,4.687,17.07,0.190517941,-855.4240667,2.8957,-0.22683,-0.01019,0.21664,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-45
709,Steroid,C[C@@]12C([C@H](CCC2)CC)=CCC3C1CC[C@]4(C3CCC4=O)C,5.346787486,Inactive,300.53,1,4,0,1,5.143,17.07,0.189551611,-894.7353984,2.8768,-0.22664,-0.01033,0.21631,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-46
710,Steroid,C[C@@]12C([C@H](CCC2)CCC)=CCC3C1CC[C@]4(C3CCC4=O)C,5.259637311,Inactive,314.56,2,4,0,1,5.599,17.07,0.188441386,-934.0490582,2.8209,-0.22656,-0.01037,0.21619,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-47
711,Steroid,C[C@]12C(C(CCC2)=O)CCC3C1CC[C@]4(C3CCC4=O)C,5.619788758,Inactive,288.47,0,4,0,2,3.333,34.14,0.208162592,-891.3296517,2.0316,-0.23256,-0.01393,0.21863,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-48
712,Steroid,C[C@]12C(C([C@@H](CC2)O)=O)CCC3C1CC[C@]4(C3CCC4=O)C,6.173925197,Active,304.47,0,4,1,3,2.653,54.37,0.21729046,-966.5571493,1.589,-0.23379,-0.02886,0.20493,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-49
713,Steroid,C[C@]12C(C3CCC4=C(C(CC[C@@]4(C3CC2)C)=O)O)CCC(O1)=O,5.732828272,Inactive,318.45,0,4,1,4,2.583,63.6,0.243261429,-1040.580704,2.7813,-0.22641,-0.05716,0.16925,Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors,Eur J Med Chem. 2010;45(12):5612-50
714,Non-Steroid,ClC1=CC=C(C(CN2C3=CC=C2)/C(C3=O)=C/C4=CC=NC=C4)C=C1,6.832682665,Active,334.82,2,4,0,2,4.193,34.89,0.181982436,-1416.059277,5.7809,-0.22985,-0.08396,0.14589,MR 20492 and MR 20494: two indolizinone derivatives that strongly inhibit human aromatase,J Steroid Biochem Mol Biol. 1999;70(1-3):59-71
715,Non-Steroid,ClC1=CC=C(C(CN2C3=CC=C2)/C(C3=O)=C/C4=CN=CC=C4)C=C1,6.954677021,Active,334.82,2,4,0,2,4.193,34.89,0.178964385,-1416.059009,6.174,-0.2239,-0.07527,0.14863,MR 20492 and MR 20494: two indolizinone derivatives that strongly inhibit human aromatase,J Steroid Biochem Mol Biol. 1999;70(1-3):59-71
716,Non-Steroid,O=C1N(C)C2=C3C(OCO3)=CC=C2C(OC)=C1,5.406713933,Inactive,233.24,1,3,0,5,0.728,49.69,0.287175,-819.5316686,3.1572,-0.20769,-0.03637,0.17132,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-93
717,Non-Steroid,C[C@](C1OC(C[C@H]1O)=O)(OC2=CC(C)=C(C(O)=C23)C4=C(C5=C(C=C4)O[C@](C6OC(C[C@@H]6C)=O)(C)CC5=O)O)CC3=O,4.782516056,Inactive,566.6,3,6,3,11,2.818,165.89,0.290129845,-1988.769067,6.5103,-0.21582,-0.0709,0.14492,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-94
718,Non-Steroid,C[C@](C1OC(C[C@H]1O)=O)(OC2=C(C(C)=CC(O)=C23)C4=C(C5=C(C=C4)O[C@](C6OC(C[C@@H]6C)=O)(C)CC5=O)O)CC3=O,4.612610174,Inactive,566.6,3,6,3,11,2.818,165.89,0.29198138,-1988.773139,7.4914,-0.22365,-0.08312,0.14053,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-95
719,Non-Steroid,CC(O[C@H]1[C@@H](CCCCC)OC(C2=CC=C(OC)C=C21)=O)=O,5.795880017,Inactive,306.39,7,2,0,5,3.561,61.83,0.239178205,-1037.208413,3.0968,-0.23503,-0.04148,0.19355,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-96
720,Non-Steroid,OC(C=C1C)=CC2=C1OC(C=C(O)C=C3C)=C3C(O2)=O,5.27572413,Inactive,272.27,0,3,2,5,3.43,83.81,0.303659656,-954.9297855,5.2532,-0.22005,-0.04017,0.17988,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-97
721,Non-Steroid,O=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,5.107905397,Inactive,442.66,20,0,5,7,3.615,127.45,0.231803425,-1466.322431,4.6835,-0.22476,-0.01874,0.20602,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-98
723,Non-Steroid,OC1=CC(O)=C(C([C@@H](C2=C3C(C([C@H](O)[C@@H](C4=CC=C(O)C=C4)O3)=O)=C(O)C=C2O)[C@H](C5=CC=C(O)C=C5)O6)=O)C6=C1,4.946921557,Inactive,558.52,3,6,7,11,3.715,194.21,0.293494857,-1983.881485,3.7394,-0.21492,-0.06216,0.15276,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-99
724,Non-Steroid,OC1=C(C(/C=C/C2=CC=C(O)C=C2)=O)C=CC(O)=C1,5.420216403,Inactive,256.27,3,2,3,4,2.9,77.76,0.265174806,-879.6790363,2.717,-0.2138,-0.05863,0.15517,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-100
725,Non-Steroid,O=C1C2=C([H])C=C(O)C=C2O[C@H](C3=CC=C(O)C=C3)C1,6.468521083,Active,256.27,1,3,2,4,2.565,66.76,0.260550161,-879.7072141,1.3327,-0.2238,-0.04645,0.17735,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-101
726,Non-Steroid,O=C1C2=C(O)C=C(O)C=C2O[C@H](C3=CC=C([H])C=C3)C1,4.728158393,Inactive,256.27,1,3,2,4,2.565,66.76,0.258577516,-879.7225048,1.9177,-0.22059,-0.05293,0.16766,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-102
728,Non-Steroid,O=C1C2=C(O)C([H])=C(O)C([H])=C2OC(C3=CC([H])=C(OC)C([H])=C3)C1[H],4.966576245,Inactive,286.3,2,3,2,5,2.549,75.99,0.270201114,-994.2489208,2.9371,-0.22085,-0.05175,0.1691,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-103
729,Non-Steroid,OC(C(O)=C1)=C(O)C=C1C2C(O)C(C3=C(O)C([H])=C(O)C([H])=C3O2)=O,5,Inactive,320.27,1,3,6,8,1.217,147.68,0.3452416,-1180.579445,4.265,-0.22082,-0.0565,0.16432,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-104
730,Non-Steroid,OC(C(O)=C1)=C([H])C=C1C2C(O)C(C3=C(O)C([H])=C(O)C(O)=C3O2)=O,4.958607315,Inactive,320.27,1,3,6,8,1.217,147.68,0.334328457,-1180.56271,2.8863,-0.1996,-0.05766,0.14194,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-105
734,Non-Steroid,OC1=CC(O)=C(C(C(C2=CC=C(OC)C=C2)=CO3)=O)C3=C1,4.903089987,Inactive,284.28,2,3,2,5,2.316,79.9,0.261442909,-993.0382233,3.7401,-0.20814,-0.05392,0.15422,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-106
735,Non-Steroid,CC1=CCC2=C1C([C@H](OC(C)=O)[C@H](C)C[C@@H](OC)/C=C(C)\C2)=O,6.677780705,Active,318.45,3,2,0,4,3.281,52.6,0.239549936,-1076.443807,0.625,-0.2232,-0.04449,0.17871,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-107
736,Non-Steroid,CC(C)C(C=C1)=CC2=C1[C@]3(C)C(CC2)[C@](C)(C(O)=O)CCC3,6.494850022,Active,300.48,2,3,1,2,5.364,37.3,0.2109406,-929.4699602,1.4133,-0.22102,-0.00083,0.22019,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-108
737,Non-Steroid,OC(C(C/C=C(C)/C)=C1O)=CC2=C1C(C3=C(CCC(C)C)C(O)=C(O)C=C3O2)=O,5.161150909,Inactive,398.49,5,3,4,6,5.858,111.13,0.272308182,-1343.460807,3.808,-0.20372,-0.05606,0.14766,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-109
738,Non-Steroid,OC(C(C/C=C(C)/C)=C1O)=CC2=C1C(C3=C(CCC(C)(O)C)C(OC)=C(O)C=C3O2)=O,5.283996656,Inactive,428.52,6,3,4,7,4.758,120.36,0.277174814,-1457.975442,3.4789,-0.20722,-0.0544,0.15282,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-110
739,Non-Steroid,OC(C(C/C=C(C)/C)=C1O)=CC2=C1C(C3=C(CCC(C)C)C(OC)=C(O)C=C3O2)=O,4.684029655,Inactive,412.52,6,3,3,6,6.109,100.13,0.26007631,-1382.759344,3.0312,-0.20887,-0.05634,0.15253,Natural compounds with aromatase inhibitory activity: an update,Planta Med. 2010;76(11):1087-111
742,Non-Steroid,O=C(C1=CC=CC(OC)=C1CC/2)C2=C\C3=CC=NC=C3,5.200659451,Inactive,265.33,2,3,0,3,3.096,39.19,0.195724514,-862.0251156,5.0576,-0.22698,-0.07595,0.15103,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-91
743,Non-Steroid,O=C(C1=CC=C(OC)C=C1CC/2)C2=C\C3=CC=NC=C3,5.050609993,Inactive,265.33,2,3,0,3,3.096,39.19,0.204739257,-862.0281075,4.7077,-0.23055,-0.07305,0.1575,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-92
744,Non-Steroid,O=C(C1=CC(OC)=CC=C1CC/2)C2=C\C3=CC=NC=C3,4.886056648,Inactive,265.33,2,3,0,3,3.096,39.19,0.202723057,-862.0262956,2.7923,-0.22474,-0.07889,0.14585,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-93
745,Non-Steroid,O=C(C1=CC=CC(O)=C1CC/2)C2=C\C3=CC=NC=C3,6.161150909,Active,251.3,1,3,1,3,2.845,50.19,0.208318125,-822.7187177,4.7331,-0.23075,-0.0776,0.15315,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-94
746,Non-Steroid,O=C(C1=CC=C(O)C=C1CC/2)C2=C\C3=CC=NC=C3,5.065501549,Inactive,251.3,1,3,1,3,2.845,50.19,0.216879656,-822.7217323,4.0482,-0.23475,-0.07442,0.16033,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-95
747,Non-Steroid,O=C(C1=CC(O)=CC=C1CC/2)C2=C\C3=CC=NC=C3,5.522878745,Inactive,251.3,1,3,1,3,2.845,50.19,0.215533875,-822.7195628,2.3595,-0.22867,-0.08096,0.14771,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-96
748,Non-Steroid,O=C1C(CC2=CC=NC=C2)CCC3=CC=CC=C31,5.366531544,Inactive,237.32,2,3,0,2,3.152,29.96,0.183772788,-748.7229294,5.4438,-0.24108,-0.05777,0.18331,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-97
749,Non-Steroid,O=C1C(CC2=CC=NC=C2)CCC3=C(OC)C=CC=C31,5.657577319,Inactive,267.35,3,3,0,3,3.135,39.19,0.196131405,-863.2455692,6.5671,-0.22705,-0.05349,0.17356,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-98
750,Non-Steroid,O=C1C(CC2=CC=NC=C2)CCC3=CC(OC)=CC=C31,5.48148606,Inactive,267.35,3,3,0,3,3.135,39.19,0.204456784,-863.2480073,5.6214,-0.23038,-0.04821,0.18217,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-99
751,Non-Steroid,O=C1C(CC2=CC=NC=C2)CCC3=CC=C(OC)C=C31,5.102372909,Inactive,267.35,3,3,0,3,3.135,39.19,0.203071405,-863.246346,4.1896,-0.22465,-0.05682,0.16783,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-100
752,Non-Steroid,O=C1C(CC2=CC=NC=C2)CCC3=C(O)C=CC=C31,6.698970004,Active,253.32,2,3,1,3,2.884,50.19,0.209591353,-823.9411363,4.7609,-0.23089,-0.05826,0.17263,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-101
753,Non-Steroid,O=C1C(CC2=CC=NC=C2)CCC3=CC(O)=CC=C31,5.207608311,Inactive,253.32,2,3,1,3,2.884,50.19,0.215901765,-823.9416688,5.0342,-0.23469,-0.04952,0.18517,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-102
754,Non-Steroid,O=C1C(CC2=CC=NC=C2)CCC3=CC=C(O)C=C31,5.30980392,Inactive,253.32,2,3,1,3,2.884,50.19,0.215243294,-823.9396032,4.2097,-0.22867,-0.05927,0.1694,New aromatase inhibitors. Synthesis and biological activity of pyridyl-substituted tetralone derivatives,J Med Chem. 1991;34(9):2685-103
755,Non-Steroid,[H]C1=CC=C(C(/C(C(C2=CC=CC=C2)O3)=C/C4=CC=NC=C4)=O)C3=C1,6.096910013,Active,313.37,2,4,0,3,3.861,39.19,0.173541051,-1014.441981,2.6103,-0.23058,-0.08691,0.14367,New aromatase inhibitors. Synthesis and inhibitory activity of pyridinyl-substituted flavanone derivatives,Bioorg Med Chem Lett. 2002;12(7):1059-61
756,Non-Steroid,[H]C1=CC=C(C(/C(C(C2=CC=CC=C2)O3)=C\C4=CC=NC=C4)=O)C3=C1,5.48148606,Inactive,313.37,2,4,0,3,3.861,39.19,0.174359026,-1014.44569,4.3977,-0.23555,-0.08346,0.15209,New aromatase inhibitors. Synthesis and inhibitory activity of pyridinyl-substituted flavanone derivatives,Bioorg Med Chem Lett. 2002;12(7):1059-62
757,Non-Steroid,O=C1C2=CC=C(OC)C=C2OC(C3=CC=CC=C3)/C1=C\C4=CC=NC=C4,6.207608311,Active,343.4,3,4,0,4,3.845,48.42,0.194750488,-1128.974749,3.904,-0.22816,-0.08183,0.14633,New aromatase inhibitors. Synthesis and inhibitory activity of pyridinyl-substituted flavanone derivatives,Bioorg Med Chem Lett. 2002;12(7):1059-63
758,Non-Steroid,O=C1C2=CC=C(OC)C=C2OC(C3=CC=CC=C3)/C1=C/C4=CC=NC=C4,5.795880017,Inactive,343.4,3,4,0,4,3.845,48.42,0.193365512,-1128.970702,4.5632,-0.23045,-0.07742,0.15303,New aromatase inhibitors. Synthesis and inhibitory activity of pyridinyl-substituted flavanone derivatives,Bioorg Med Chem Lett. 2002;12(7):1059-64
759,Non-Steroid,O=C1C2=C(C(CN3C=NC=C3)=CC=C2[N+]([O-])=O)OC4=CC=CC=C41,4.397940009,Inactive,321.31,3,4,0,5,2.535,93.85,0.215689486,-1119.475715,4.6812,-0.23158,-0.09281,0.13877,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-51
760,Non-Steroid,O=C1C2=C(C(CN3C=NC=C3)=CC([N+]([O-])=O)=C2)OC4=CC=CC=C41,4.27572413,Inactive,321.31,3,4,0,5,2.535,93.85,0.225160771,-1119.492874,4.8579,-0.23234,-0.09986,0.13248,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-52
761,Non-Steroid,O=C1C2=C(C(CN3C=NC=C3)=C([N+]([O-])=O)C=C2)OC4=CC=CC=C41,2.721246399,Inactive,321.31,3,4,0,5,2.535,93.85,0.217523029,-1119.483389,3.8955,-0.22811,-0.11199,0.11612,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-53
762,Non-Steroid,O=C1C2=C(C(CN3C=NC=C3)=CC=C2[N+]([O-])=O)SC4=CC=CC=C41,4.782516056,Inactive,337.38,3,4,0,4,3.094,108.95,0.202612571,-1442.436879,3.8907,-0.23141,-0.09473,0.13668,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-54
763,Non-Steroid,O=C1C2=C(C(CN3C=NC=C3)=CC=C2[N+]([O-])=O)OC4=NC=CC=C41,3.995678626,Inactive,322.3,3,4,0,6,1.924,106.74,0.227317647,-1135.517773,5.284,-0.23696,-0.1007,0.13626,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-55
764,Non-Steroid,O=C1C2=C(C(CN3C=NC=C3)=CC=C2[H])OC4=CC=CC=C41,4.769551079,Inactive,276.31,2,4,0,3,2.641,48.03,0.196691879,-914.9944986,2.8794,-0.22262,-0.07261,0.15001,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-56
765,Non-Steroid,O=C1C2=C(C(CN3C=NC=C3)=CC=C2[H])SC4=CC=CC=C41,5.400116928,Inactive,292.38,2,4,0,2,3.199,63.13,0.178261939,-1237.956783,2.787,-0.22255,-0.07547,0.14708,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-57
766,Non-Steroid,O=C1C2=C(C=C(CN3C=NC=C3)C=C2[H])OC4=CC=CC=C41,3.408935393,Inactive,276.31,2,4,0,3,2.641,48.03,0.20259097,-914.9953396,0.7708,-0.2292,-0.07076,0.15844,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-58
767,Non-Steroid,O=C1C2=C(C=CC(CN3C=NC=C3)=C2[H])OC4=CC=CC=C41,2.102372909,Inactive,276.31,2,4,0,3,2.641,48.03,0.203579152,-914.9957766,4.2494,-0.22494,-0.07328,0.15166,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-59
768,Non-Steroid,O=C1C2=C(C=CC=C2CCN3C=NC=C3)OC4=CC=CC=C41,3.823908741,Inactive,290.34,3,4,0,3,2.962,48.03,0.195931278,-954.3046417,6.7553,-0.21618,-0.07104,0.14514,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-60
769,Non-Steroid,O=[N+](C1=CC(OC2=CC=CC=C2)=C(CN3C=NC=C3)C=C1)[O-],4.941194513,Inactive,295.32,5,3,0,4,2.961,72.87,0.212082857,-1007.343178,5.2453,-0.23161,-0.09163,0.13998,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-61
770,Non-Steroid,O=[N+](C1=CC(SC2=CC=CC=C2)=C(CN3C=NC=C3)C=C1)[O-],5.252588192,Inactive,311.39,5,3,0,3,3.519,88.94,0.189724829,-1330.313064,4.3125,-0.23395,-0.09797,0.13598,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-62
771,Non-Steroid,[H]C1=CC(OC2=CC=CC=C2)=C(CN3C=NC=C3)C=C1,3.409827168,Inactive,250.32,4,3,0,2,3.067,27.05,0.182307848,-802.8425771,4.9793,-0.22076,-0.01619,0.20457,"Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation",J Med Chem. 2010;53(14):5347-63
773,Non-Steroid,O=C(C1=CC([H])=CC=C1CC/2)C2=C\C3C=NC=N3,6.585026652,Active,224.28,1,3,0,3,2.502,41.79,0.191116103,-725.4026425,4.6317,-0.24918,-0.07377,0.17541,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-304
774,Non-Steroid,O=C(C1=CC([H])=CC=C1CC/2)C2=C/C3C=NC=N3,6.769551079,Active,224.28,1,3,0,3,2.502,41.79,0.191116103,-725.4026425,4.6317,-0.24918,-0.07377,0.17541,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-305
775,Non-Steroid,O=C(C1=CC(OC)=CC=C1CC/2)C2=C\C3C=NC=N3,7.387216143,Active,254.31,2,3,0,4,2.485,51.02,0.215153212,-839.926113,0.9321,-0.22065,-0.0698,0.15085,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-306
776,Non-Steroid,COC1=CC=C(CCC2C3C2C4=CC=NC=C4)C3=C1,7.522878745,Active,251.35,2,4,0,2,3.136,22.12,0.185128167,-787.9877738,3.3918,-0.20783,-0.02,0.18783,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-307
777,Non-Steroid,C12=NC=CC=C1C(CCN3C=CN=C3)=CCC2,6.301029996,Active,225.32,3,3,0,2,1.713,30.71,0.187048688,-706.7630007,2.8193,-0.22287,-0.04047,0.1824,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-308
780,Non-Steroid,CCN1C2=C(C=CC=C2)C(C(N3C=CN=C3)C4=CC=CC=C4)=C1,7,Active,301.42,4,4,0,1,3.967,22.75,0.167743762,-937.8251833,6.2203,-0.20432,-0.01387,0.19045,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-309
781,Non-Steroid,CCN1C2=C(C=CC=C2)C(C(N3C=CN=C3)C4=CC=C(F)C=C4)=C1,7.397940009,Active,319.41,4,4,0,2,4.173,22.75,0.182736214,-1037.057654,4.0698,-0.20396,-0.01778,0.18618,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-310
782,Non-Steroid,FC(C=C1)=CC=C1C(C2=CC(C=CC=C3)=C3O2)N4N=CN=C4,6.721246399,Active,293.32,3,4,0,4,3.792,43.85,0.208894559,-994.3246088,3.5071,-0.23209,-0.037,0.19509,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-311
783,Non-Steroid,BrC(C=C1)=CC=C1CN(C2=CC=C([N+]([O-])=O)C=C2)N3N=CN=C3,10.52287875,Active,374.22,5,3,0,5,3.827,79.77,0.211328114,-3574.586085,4.6676,-0.24881,-0.086,0.16281,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-312
784,Non-Steroid,BrC(C=C1)=CC=C1CN(C2=CC=C(C#N)C=C2)N3N=CN=C3,9.920818754,Active,354.23,4,3,0,4,3.812,57.74,0.198834882,-3462.327315,5.4889,-0.23538,-0.0445,0.19088,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-313
787,Non-Steroid,FC1=CC=C(CCCC(C2N=CNC2)C3=CC=C(C#N)C=C3)C=C1,6.721246399,Active,321.43,6,3,1,4,4.338,48.18,0.200117432,-1038.238531,6.6692,-0.23069,-0.04053,0.19016,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-314
788,Non-Steroid,O=[N+](C1=CC=C(CCN2C=CN=C2)C=C1)[O-],6.795880017,Active,217.25,4,2,0,3,1.722,63.64,0.208039815,-740.3947718,1.6459,-0.23062,-0.09548,0.13514,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-315
789,Non-Steroid,FC(C=C1)=CC=C1CCCN2C=CN=C2,6.508638306,Active,204.27,4,2,0,2,2.49,17.82,0.189681571,-674.4402047,3.6627,-0.22148,-0.01559,0.20589,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-316
790,Non-Steroid,CC1=C(C(OCC)=O)C(C2=CC=CC(N3C=NC=C3)=C2)C(C(OCC)=O)=C(C)N1,8.443697499,Active,395.5,8,3,1,6,2.239,82.45,0.252007519,-1318.551139,9.3438,-0.21218,-0.04959,0.16259,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-317
791,Non-Steroid,CC1=C(C(OCC)=O)C(C2=CC=CC(N3C=NC=C3)=C2)C(C#N)=C(C)N1,8.958607315,Active,348.44,5,3,1,5,1.914,79.94,0.250883348,-1143.599844,7.0019,-0.21837,-0.05342,0.16495,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-318
792,Non-Steroid,CC1=C(C#N)C(C2=CC=CC(N3C=NC=C3)=C2)C(C#N)=C(C)N1,8.744727495,Active,301.38,2,3,1,4,1.589,77.43,0.247954816,-968.6651555,6.4064,-0.22683,-0.06579,0.16104,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-319
793,Non-Steroid,O=C(C(C=CC=C1)=C1O2)C3=C2C(CN4C=NC=C4)=CC=C3C#N,7.366531544,Active,301.32,2,4,0,4,2.52,71.82,0.207112088,-1007.229108,7.032,-0.23748,-0.0929,0.14458,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-320
794,Non-Steroid,O=C(C(C=CC=C1)=C1O2)C3=C2C(CN4C=NC=C4)=CC=C3[N+]([O-])=O,7.397940009,Active,321.31,3,4,0,5,2.535,93.85,0.215336943,-1119.476756,6.6374,-0.23741,-0.09181,0.1456,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-321
795,Non-Steroid,BrC(C(OC1=C2C=CC=C1)=C3C2=O)=CC=C3CN4C=NC=C4,7.37675071,Active,355.2,2,4,0,3,3.389,48.03,0.192979152,-3486.091915,5.6113,-0.21295,-0.08605,0.1269,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-322
797,Non-Steroid,OC1=CC(O)=CC(O)=C1C(/C=C/C2=CC=C(O)C=C2)=O,5.585026652,Inactive,272.27,3,2,4,5,2.632,97.99,0.299295281,-954.9155943,5.974,-0.21333,-0.07551,0.13782,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-323
798,Non-Steroid,OC1=CC(O)=CC(O)=C1C(/C=C/C2=CC=C(O)C(O)=C2)=O,5.552841969,Inactive,288.27,3,2,5,6,2.365,118.22,0.325735242,-1030.13299,4.9995,-0.21371,-0.07656,0.13715,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-324
799,Non-Steroid,CC1=CCC2C1[C@@H](OC(C3=C)=O)[C@H]3CC[C@@]2(O)C,5.15490196,Inactive,248.35,0,3,1,3,2.208,46.53,0.245006368,-809.2714432,4.8179,-0.23676,-0.04153,0.19523,Nonsteroidal aromatase inhibitors: recent advances,Med Res Rev. 2002;22(3):282-325
800,Non-Steroid,COC(C=C1)=CC2=C1CCC3C2C3C4=CC=NC=C4,8.860120914,Active,251.35,2,4,0,2,3.136,22.12,0.186469667,-787.9859796,3.2728,-0.21108,-0.02067,0.19041,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-64
801,Non-Steroid,O=C1C(C(C2CCC([N+]([O-])=O)CC2)N3C=CN=C3)=COC4=CC=CC=C14,8.638272164,Active,353.41,4,4,0,5,2.655,93.85,0.202448378,-1200.515583,6.4619,-0.22947,-0.07273,0.15674,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-65
804,Non-Steroid,O=C(C1=CC=CC(CN2C=CN=C2)=C1)C3=CC=C(C4=CC=CC=C4)C=C3,8.27572413,Active,338.43,5,4,0,2,4.429,34.89,0.166853568,-1072.016952,6.7898,-0.21918,-0.07077,0.14841,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-66
805,Non-Steroid,CN(C1=C(S2)C=C(C(C3=CC=CC=C3)N4C=CN=C4)C=C1)C2=O,7.886056648,Active,321.43,3,4,0,3,3.393,68.06,0.201237895,-1332.635181,6.6791,-0.22122,-0.02893,0.19229,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-67
806,Non-Steroid,CC(C)(C#N)C1=CC(CN2C=NC=N2)=CC(C(C)(C#N)C)=C1,7.823908741,Active,293.41,4,2,0,4,2.966,78.29,0.231930927,-932.9726684,4.8637,-0.2655,-0.03676,0.22874,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-68
807,Non-Steroid,O=C1C=C(C2=CC=CC=C2)OC3C4=CC(O)=CC=C4CC=C31,7.698970004,Active,290.33,1,4,1,3,3.206,46.53,0.212683611,-958.1000702,4.5327,-0.22368,-0.06367,0.16001,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-69
808,Non-Steroid,CCN(C(C)=C1C(N2C=NC=C2)C3=CC=C(F)C=C3)C4=C1C=CC=C4,7.494850022,Active,333.44,4,4,0,2,4.318,22.75,0.196870644,-1076.373536,4.3368,-0.20127,-0.01942,0.18185,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-70
809,Non-Steroid,O=C(C1=CC=CN1C/2C3=CC=C(OC(F)(F)F)C=C3)C2=C/C4=CN=CC=C4,7.397940009,Active,370.35,3,4,0,6,5.588,44.12,0.22290875,-1329.405666,4.6754,-0.22727,-0.08246,0.14481,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-71
811,Non-Steroid,FC(C=C1)=CC=C1N(C=C2N3C=NC=C3)C4=C2C=CC=C4,7.143875556,Active,277.32,2,4,0,2,3.781,22.75,0.198889788,-919.1172992,4.1755,-0.20811,-0.03167,0.17644,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-72
812,Non-Steroid,C12=CC=CC=C1C(C=CC=C3)=C3C2(C4=CC=CC=C4)N5C=NC=C5,7.13076828,Active,308.4,2,5,0,1,4.247,17.82,0.147179925,-957.4773088,4.2304,-0.21672,-0.04305,0.17367,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-73
813,Non-Steroid,O=C1C(C2=CC=CC=C2)=C(SCC3=CC=NC=C3)OC4=C1C=CC(OCC(C=C5)=CC=C5C6=CC=CC=C6)=C4,7.070581074,Active,527.67,8,6,0,4,7.608,77.63,0.178490563,-1989.280897,4.2725,-0.22343,-0.06128,0.16215,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-74
814,Non-Steroid,BrC1=CC2=C(N(CC)C=C2C(C3=CC=CC=C3)N4C=CN=C4)C=C1,6.991399828,Active,380.31,4,4,0,1,4.715,22.75,0.170623095,-3508.929748,3.6155,-0.2094,-0.02406,0.18534,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-75
815,Non-Steroid,O=C1C2=CC=CN2CC(C3=CC=C(Cl)C=C3)/C1=C/C4=CC=CN=C4,6.958607315,Active,334.82,2,4,0,2,4.193,34.89,0.175124359,-1416.060254,2.1239,-0.22491,-0.07432,0.15059,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-76
816,Non-Steroid,FC1=CC=C(C=CC(CN2C=CN=C2)=C3)C3=C1,6.795880017,Active,226.27,2,3,0,2,2.621,17.82,0.191332643,-749.4547153,3.5562,-0.22169,-0.05097,0.17072,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-77
817,Non-Steroid,O=[N+](C1=CC=C(CCC2=NC=CN2)C=C1)[O-],6.795880017,Active,217.25,4,2,1,3,2.028,74.5,0.243871556,-740.4038592,6.1784,-0.22614,-0.08535,0.14079,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-78
818,Non-Steroid,C12=NC=CC=C1C(CN3C=CN=C3)CCC2,6.795880017,Active,213.31,2,3,0,2,1.574,30.71,0.182790548,-668.671367,2.4242,-0.22341,-0.03063,0.19278,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-79
820,Non-Steroid,ClC1=CC=C(C(N2C=NC=C2)C3=CC=C(NC=C4)C4=C3)C=C1,8.301029996,Active,307.8,3,4,1,1,4.077,33.61,0.180135444,-1318.789871,6.6023,-0.21501,-0.02548,0.18953,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-80
822,Non-Steroid,N#CC(C=C1)=CC=C1C(N2C=NC=N2)C3=CC=C(C#N)C=C3,7.93930216,Active,285.33,3,3,0,4,2.749,78.29,0.200397939,-928.1464256,3.8997,-0.269,-0.0728,0.1962,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-81
823,Non-Steroid,O=C1C=C(C2=CC=CC=C2)OC3=C1C=CC4=C3C=CC=C4,7.15490196,Active,272.31,1,4,0,2,4.045,30.21,0.18521197,-881.7161811,4.6164,-0.22056,-0.06299,0.15757,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-82
824,Non-Steroid,O=C(C1=CC=CN1CC/2C3=CC=C(Cl)C=C3)C2=C/C4=CC=NC=C4,6.698970004,Active,334.82,2,4,0,2,4.193,34.89,0.177664795,-1416.059429,4.0716,-0.22823,-0.07925,0.14898,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-83
825,Non-Steroid,O=C1C(CC2=CC=CC=C2)CCC3=C1C=CC=C3O,6.698970004,Active,252.33,2,3,1,2,4.035,37.3,0.202986686,-807.9051362,3.092,-0.22662,-0.05363,0.17299,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-84
826,Non-Steroid,O=C1C(C2=CC=CC=C2)=C(SCC3=CN=CC=C3)OC4=C1C=CC(OC5=CC=CC=C5)=C4,6.677780705,Active,437.54,6,5,0,4,6.083,77.63,0.189733235,-1718.911954,3.6478,-0.22294,-0.0603,0.16264,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-85
827,Non-Steroid,FC1=CC=C(CCCN2C=CN=C2)C=C1,6.508638306,Active,204.27,4,2,0,2,2.49,17.82,0.189666571,-674.4402163,3.6656,-0.22148,-0.0156,0.20588,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-86
828,Non-Steroid,OC(C=C1)=CC=C1C2CC(C3=C(O)C=C(O)C(C/C=C/C(C)C)=C3O2)=O,6.22184875,Active,354.43,4,3,3,5,4.416,86.99,0.245774625,-1189.596523,2.7205,-0.21349,-0.05147,0.16202,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-87
829,Non-Steroid,O=C(C1=CC=CN12)/C(C2C3=CC=C(OC(F)(F)F)C=C3)=C\C4=CN=CC=C4,6.187086643,Active,370.35,3,4,0,6,5.588,44.12,0.2259118,-1329.408769,2.9098,-0.22722,-0.08238,0.14484,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-88
830,Non-Steroid,O=C1CC(C2=CC=CC=C2)OC3=CC=CC=C31,6.045757491,Active,224.27,1,3,0,2,3.1,26.3,0.188714552,-729.2749817,2.5203,-0.23258,-0.05643,0.17615,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-89
831,Non-Steroid,O=C(OC1)C(C2=CC=C(OC)C(OC)=C2)=C1C3=CC=C(OC)C(OC)=C3,9,Active,356.4,6,3,0,6,3.28,63.22,0.22930837,-1225.46247,6.8383,-0.19534,-0.05664,0.1387,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-90
832,Non-Steroid,O=C1C2=C(O)C=C(O)C=C2OC(C3=CC=CC=C3)=C1,9,Active,254.25,1,3,2,4,2.602,70.67,0.262495276,-878.4963985,3.6683,-0.22142,-0.05624,0.16518,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-91
833,Non-Steroid,ClC(C=CC=C1)=C1C(C2=CC=CC=C2)(N3C=NC=C3)C4=CC=CC=C4,8.744727495,Active,344.86,4,4,0,1,5.223,17.82,0.145854167,-1418.244626,4.8683,-0.21664,-0.03033,0.18631,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-92
834,Non-Steroid,CC1=CCC2C1[C@@H](OC([C@H]3C)=O)[C@H]3CC[C@@]2(O)C,8.698970004,Active,250.37,0,3,1,3,2.193,46.53,0.237613125,-810.5162814,4.4252,-0.2367,0.01624,0.25294,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-93
835,Non-Steroid,O=C1C=C(C2=CC=C(O)C=C2)OC3=CC(O)=CC=C31,8.698970004,Active,254.25,1,3,2,4,2.602,70.67,0.271647069,-878.5062468,4.6645,-0.22032,-0.05763,0.16269,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-94
836,Non-Steroid,OC(C=C1)=CC=C1C(O2)CC(C3=C2C=C(O)C=C3O)=O,8.537602002,Active,272.27,1,3,3,5,2.298,86.99,0.289186156,-954.9423732,2.5818,-0.22177,-0.05261,0.16916,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-95
837,Non-Steroid,O=C1C(CC2=CCNC=C2)=C(N)C3=CC(OC)=CC=C31,8.455931956,Active,268.34,3,3,3,4,0.73,64.35,0.237863917,-879.2391211,7.2312,-0.18164,-0.05748,0.12416,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-96
838,Non-Steroid,NC1=CC=C(C2(CCC(NC2=O)=O)CC)C=C1,8.283996656,Active,232.31,2,2,3,4,1.285,72.19,0.279952909,-765.0074962,3.6333,-0.20598,-0.02537,0.18061,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-97
839,Non-Steroid,O=C1OC[C@H](CC2=CC=C(C(O)=C2)O)[C@H]1CC3=CC=C(C(O)=C3)O,8.22184875,Active,330.36,4,3,4,6,2.966,107.22,0.278898929,-1148.070695,4.2745,-0.20099,-0.003,0.19799,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-98
840,Non-Steroid,O=C1OC[C@H](CC2=CC=CC(O)=C2)[C@H]1CC3=CC=CC=C3,8.22184875,Active,282.36,4,3,1,3,3.768,46.53,0.212623333,-922.4349068,3.0022,-0.22653,-0.01005,0.21648,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-99
841,Non-Steroid,O=C1C(C2=CC=C(OC)C(OC)=C2)=C(C3=CC=C(OC)C=C3)CO1,8.161150909,Active,326.37,5,3,0,5,3.296,53.99,0.221680452,-1110.947874,6.3256,-0.19327,-0.05665,0.13662,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-100
842,Non-Steroid,OC1=C(C2=CC=C(O)C(O)=C2)OC3=CC(O)=CC(O)=C3C1=O,7.920818754,Active,302.25,1,3,5,7,1.504,131.36,0.341602625,-1104.149006,5.1271,-0.19401,-0.05647,0.13754,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-101
843,Non-Steroid,O=C1C=C(C2=CC=CC=C2)OC3=CC=CC=C31,8.096910013,Active,222.25,1,3,0,2,3.137,30.21,0.197196333,-728.0713143,4.1955,-0.23326,-0.0658,0.16746,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-102
845,Non-Steroid,ClC(C=C1)=CC=C1C(C2=CC(C=CC=C3)=C3O2)N4C=CN=C4,8.055517328,Active,308.78,3,4,0,2,4.378,30.96,0.177679486,-1338.648134,4.5831,-0.22169,-0.04231,0.17938,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-103
846,Non-Steroid,CC(C(C)CC1=CC=C(O)C(O)=C1)CC2=CC=C(O)C(O)=C2,7.958607315,Active,302.4,5,2,4,4,4.607,80.92,0.256371545,-1000.027585,2.008,-0.19802,0.00648,0.2045,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-104
847,Non-Steroid,[H][C@]12C(C(C=C2C)=C)C(C)C[C@@H]3[C@@H]1OC(C3=C)=O,7.823908741,Active,230.33,0,3,0,2,3.024,26.3,0.222412914,-732.8484184,3.8343,-0.2156,-0.0449,0.1707,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-105
848,Non-Steroid,O=CC1=CC(C(O)=O)=CC(O)=C1C(C2=C(C)C=CC=C2O)=O,7.764471553,Active,300.28,4,2,3,6,2.549,111.9,0.280343118,-1068.264766,5.2742,-0.24836,-0.10566,0.1427,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-106
849,Non-Steroid,C[C@]12[C@@H](CC3=C(CC[C@H]4C(C32)OC(C4=C)=O)C)O1,7.259637311,Active,246.33,0,4,0,3,2.14,38.83,0.229267194,-808.0529452,5.2212,-0.23485,-0.04848,0.18637,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-107
850,Non-Steroid,ClC1=C([C@@]2(CN3C=CN=C3)OC[C@H](CCC4=CC=C(N5CCN(CC5)OC)C=C4)O2)C=CC(Cl)=C1,7.22184875,Active,517.5,8,5,0,6,4.925,51.99,0.183565462,-2373.811326,3.7769,-0.18939,-0.03668,0.15271,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-108
851,Non-Steroid,CC1=CCC2C1[C@@H](OC(C3=C)=O)[C@H]3CCC2,7.15490196,Active,218.32,0,3,0,2,3.172,26.3,0.212769971,-694.7611235,4.6236,-0.23177,-0.04382,0.18795,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-109
852,Non-Steroid,O=C1C(C2=CC=C(OC)C=C2)=COC3=C1C(O)=CC(O)=C3,7.991399828,Active,284.28,2,3,2,5,2.316,79.9,0.255619545,-993.0148371,3.0512,-0.20073,-0.03904,0.16169,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-110
853,Non-Steroid,O=C1C(C2=CC=C(OC)C(OC)=C2)=C(C3=CC(OC)=C(OC)C(OC)=C3)CO1,7.863279433,Active,386.43,7,3,0,7,3.264,72.45,0.23762494,-1339.977198,5.1382,-0.20663,-0.06424,0.14239,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-111
854,Non-Steroid,CC1=C(C(C2=C(OC)C=C(C(N(C)C)=O)C=C2C=O)=O)C(O)=CC=C1,7.764471553,Active,341.39,5,2,1,6,2.61,83.91,0.240489409,-1166.317412,6.839,-0.21494,-0.08338,0.13156,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-112
855,Non-Steroid,O=C1CC(C2=CC=CC=C2)OC3=CC(O)=CC=C31,7.515700161,Active,240.27,1,3,1,3,2.833,46.53,0.2255407,-804.4938832,3.899,-0.228,-0.04742,0.18058,Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19),Bioorg Med Chem Lett. 2010;20(10):3050-113
856,Steroid,O=C1C(C)(C)C[C@@]2(C)C(CCC3C2CC[C@@]4(C)C3CCC4=O)=C1,7.050609993,Active,314.51,0,4,0,2,4.173,34.14,0.209058151,-968.7623337,3.3317,-0.22942,-0.04444,0.18498,Probing the active site of aromatase with 2-methyl-substituted androstenedione analogs,Steroids. 2003;68(6):503-13
857,Steroid,O=C1C(C)(C)C[C@@]2(CO)C(CCC3C2CC[C@@]4(C)C3CCC4=O)=C1,5.292429824,Inactive,330.51,1,4,1,3,3.082,54.37,0.213656944,-1043.963464,4.3795,-0.22377,-0.03932,0.18445,Probing the active site of aromatase with 2-methyl-substituted androstenedione analogs,Steroids. 2003;68(6):503-14
858,Steroid,O=C1C(C)(C)C[C@@]2(C=O)C(CCC3C2CC[C@@]4(C)C3CCC4=O)=C1,6.22184875,Active,328.49,1,4,0,3,3.339,51.21,0.212066788,-1042.763942,4.6304,-0.23621,-0.05792,0.17829,Probing the active site of aromatase with 2-methyl-substituted androstenedione analogs,Steroids. 2003;68(6):503-15
859,Steroid,O=C1[C@H](C[C@]2(C(CCC3C2CC[C@]4(C3CCC4=O)C)=C1)C)C,6.602059991,Active,300.48,0,4,0,2,3.756,34.14,0.21029588,-929.4482112,3.4851,-0.22905,-0.04519,0.18386,Probing the active site of aromatase with 2-methyl-substituted androstenedione analogs,Steroids. 2003;68(6):503-16
861,Steroid,O=C1[C@@H](C[C@]2(C(CCC3C2CC[C@]4(C3CCC4=O)C)=C1)CO)C,4.958607315,Inactive,316.48,1,4,1,3,2.666,54.37,0.214513824,-1004.649529,4.5104,-0.22317,-0.03939,0.18378,Probing the active site of aromatase with 2-methyl-substituted androstenedione analogs,Steroids. 2003;68(6):503-17
862,Steroid,O=C1[C@@H](C[C@]2(C(CCC3C2CC[C@]4(C3CCC4=O)C)=C1)C=O)C,4.920818754,Inactive,314.46,1,4,0,3,2.922,51.21,0.213542429,-1003.44929,4.8111,-0.23583,-0.05844,0.17739,Probing the active site of aromatase with 2-methyl-substituted androstenedione analogs,Steroids. 2003;68(6):503-18
863,Steroid,O=C(C=C(CCC1C2CC[C@@]3(C)C1CCC3=O)[C@]2(C)C4)C4=C,6.259637311,Active,298.46,0,4,0,2,3.771,34.14,0.211158,-928.2180131,3.4339,-0.23586,-0.06002,0.17584,Probing the active site of aromatase with 2-methyl-substituted androstenedione analogs,Steroids. 2003;68(6):503-19
864,Steroid,O=C1[C@H](C2=CC=CC=C2)CC3(C)C(CCC4C3CCC5(C)C4CCC5=O)=C1,3.331614083,Inactive,362.55,1,5,0,2,4.789,34.14,0.198107351,-1121.181595,3.5626,-0.23275,-0.04869,0.18406,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-7
865,Steroid,O=C1[C@H](CC2=CC=CC=C2)CC3(C)C(CCC4C3CCC5(C)C4CCC5=O)=C1,3.899629455,Inactive,376.58,2,5,0,2,5.245,34.14,0.1968062,-1160.495296,3.5688,-0.22334,-0.04536,0.17798,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-8
866,Steroid,O=C1[C@H](CCC2=CC=CC=C2)CC3(C)C(CCC4C3CCC5(C)C4CCC5=O)=C1,4.299296283,Inactive,390.61,3,5,0,2,5.701,34.14,0.196645063,-1199.811964,3.7328,-0.23078,-0.04728,0.1835,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-9
867,Steroid,O=C1[C@H](CCCC2=CC=CC=C2)CC3(C)C(CCC4C3CCC5(C)C4CCC5=O)=C1,3.653647026,Inactive,404.64,4,5,0,2,6.157,34.14,0.196191015,-1239.118203,3.3589,-0.22894,-0.04603,0.18291,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-10
868,Steroid,O=C1[C@H](CC2=CC=C(C)C=C2)CC3(C)C(CCC4C3CCC5(C)C4CCC5=O)=C1,4.411168274,Inactive,390.61,2,5,0,2,5.731,34.14,0.203368159,-1199.813298,3.2004,-0.21872,-0.04453,0.17419,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-11
869,Steroid,O=C1[C@H](CC2=CC=C(C(F)(F)F)C=C2)CC3(C)C(CCC4C3CCC5(C)C4CCC5=O)=C1,4.331614083,Inactive,444.58,2,5,0,5,6.187,34.14,0.21169,-1497.533897,6.6319,-0.23325,-0.05211,0.18114,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-12
870,Steroid,O=C1C(C2=CC=CC=C2)=CC3(C)C(CCC4C3CCC5(C)C4CCC5=O)=C1,4.063486258,Inactive,360.53,1,5,0,2,4.749,34.14,0.191560382,-1119.965053,3.5534,-0.22734,-0.05698,0.17036,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-13
871,Steroid,O=C1C(CC2=CC=CC=C2)=CC3(C)C(CCC4C3CCC5(C)C4CCC5=O)=C1,5.590066877,Inactive,374.56,2,5,0,2,5.205,34.14,0.198091397,-1159.279119,3.8359,-0.22958,-0.05659,0.17299,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-14
872,Steroid,O=C1C(CCC2=CC=CC=C2)=CC3(C)C(CCC4C3CCC5(C)C4CCC5=O)=C1,6.838631998,Active,388.59,3,5,0,2,5.662,34.14,0.197103344,-1198.590109,3.0945,-0.23078,-0.05074,0.18004,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-15
873,Steroid,O=C1C(CCCC2=CC=CC=C2)=CC3(C)C(CCC4C3CCC5(C)C4CCC5=O)=C1,4.465973894,Inactive,402.62,4,5,0,2,6.118,34.14,0.194874094,-1237.907146,3.6391,-0.23075,-0.05431,0.17644,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-16
874,Steroid,O=C1C(CC2=CC=C(C)C=C2)=CC3(C)C(CCC4C3CCC5(C)C4CCC5=O)=C1,5.196542884,Inactive,388.59,2,5,0,2,5.692,34.14,0.201807246,-1198.488513,3.8047,-0.20298,-0.07423,0.12875,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-17
875,Steroid,O=C1C(CC2=CC=C(C(F)(F)F)C=C2)=CC3(C)C(CCC4C3CCC5(C)C4CCC5=O)=C1,4.466990978,Inactive,442.56,2,5,0,5,6.148,34.14,0.213303393,-1496.317831,6.1603,-0.24085,-0.06282,0.17803,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-18
876,Steroid,O=C1CC[C@]2(C([C@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(C)=O)=C1)C,6.431798276,Active,344.49,2,4,0,4,2.571,60.44,0.231088283,-1118.002789,4.1074,-0.23961,-0.0641,0.17551,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-19
877,Steroid,O=C1CC[C@]2(C([C@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(CC)=O)=C1)C,6.677780705,Active,358.52,3,4,0,4,3.238,60.44,0.227976018,-1157.328929,4.2133,-0.23613,-0.05604,0.18009,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-20
878,Steroid,O=C1CC[C@]2(C([C@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(CCC)=O)=C1)C,6.698970004,Active,372.55,4,4,0,4,3.694,60.44,0.225250017,-1196.642783,4.2171,-0.23569,-0.0555,0.18019,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-21
879,Steroid,O=C1CC[C@]2(C([C@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(CCCC)=O)=C1)C,6.853871964,Active,386.58,5,4,0,4,4.15,60.44,0.221667565,-1235.955372,4.6283,-0.23545,-0.05539,0.18006,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-22
880,Steroid,O=C1CC[C@]2(C([C@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(CCCCC)=O)=C1)C,7.055517328,Active,400.61,6,4,0,4,4.606,60.44,0.219315815,-1275.269017,4.6311,-0.23533,-0.05519,0.18014,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-23
881,Steroid,O=C1CC[C@]2(C([C@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(CCCCCC)=O)=C1)C,7.022276395,Active,414.64,7,4,0,4,5.063,60.44,0.217847559,-1314.583992,4.1905,-0.23573,-0.0556,0.18013,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-24
882,Steroid,O=C1CC[C@]2(C([C@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(CCCCCCC)=O)=C1)C,6.823908741,Active,428.67,8,4,0,4,5.519,60.44,0.214994958,-1353.89653,4.6692,-0.23529,-0.0552,0.18009,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-25
883,Steroid,O=C1CC[C@]2(C([C@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(C5=CC=CC=C5)=O)=C1)C,7,Active,406.56,3,5,0,4,4.235,60.44,0.211938017,-1309.754266,3.1142,-0.23911,-0.05945,0.17966,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-26
884,Steroid,O=C1CC[C@]2(C([C@@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(C)=O)=C1)C,5.795880017,Inactive,344.49,2,4,0,4,2.571,60.44,0.231088283,-1118.002789,4.1074,-0.23961,-0.0641,0.17551,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-27
885,Steroid,O=C1CC[C@]2(C([C@@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(CC)=O)=C1)C,5.657577319,Inactive,358.52,3,4,0,4,3.238,60.44,0.227976018,-1157.328929,4.2133,-0.23613,-0.05604,0.18009,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-28
886,Steroid,O=C1CC[C@]2(C([C@@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(CCC)=O)=C1)C,5.568636236,Inactive,372.55,4,4,0,4,3.694,60.44,0.225250017,-1196.642783,4.2171,-0.23569,-0.0555,0.18019,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-29
887,Steroid,O=C1CC[C@]2(C([C@@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(CCCC)=O)=C1)C,5.823908741,Inactive,386.58,5,4,0,4,4.15,60.44,0.221667581,-1235.955372,4.6283,-0.23545,-0.05539,0.18006,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-30
888,Steroid,O=C1CC[C@]2(C([C@@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(CCCCC)=O)=C1)C,6.27572413,Active,400.61,6,4,0,4,4.606,60.44,0.219315815,-1275.269017,4.6311,-0.23533,-0.05519,0.18014,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-31
889,Steroid,O=C1CC[C@]2(C([C@@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(CCCCCC)=O)=C1)C,5.823908741,Inactive,414.64,7,4,0,4,5.063,60.44,0.217859559,-1314.584021,4.1929,-0.23573,-0.05558,0.18015,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-32
890,Steroid,O=C1CC[C@]2(C([C@@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(CCCCCCC)=O)=C1)C,5.823908741,Inactive,428.67,8,4,0,4,5.519,60.44,0.214995268,-1353.89653,4.6695,-0.23529,-0.05521,0.18008,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-33
891,Steroid,O=C1CC[C@]2(C([C@@H](CC3C2CC[C@]4(C3CCC4=O)C)OC(C5=CC=CC=C5)=O)=C1)C,4.638272164,Inactive,406.56,3,5,0,4,4.235,60.44,0.211938017,-1309.754266,3.1142,-0.23911,-0.05945,0.17966,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-34
892,Steroid,C[C@@]12C([C@@H](OC)CC3C2CC[C@@]4(C)C3CCC4)=CC(CC1)=O,6.769551079,Active,302.5,1,4,0,2,3.742,26.3,0.192813269,-930.6311915,4.3851,-0.23013,-0.0475,0.18263,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-35
893,Steroid,C[C@@]12C([C@@H](OCC)CC3C2CC[C@@]4(C)C3CCC4)=CC(CC1)=O,6.301029996,Active,316.53,2,4,0,2,4.091,26.3,0.1925012,-969.9504191,4.3691,-0.22967,-0.04699,0.18268,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-36
894,Steroid,C[C@@]12C([C@@H](OCCC)CC3C2CC[C@@]4(C)C3CCC4)=CC(CC1)=O,6.259637311,Active,330.56,3,4,0,2,4.614,26.3,0.191714276,-1009.264014,4.3738,-0.22952,-0.04688,0.18264,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-37
895,Steroid,C[C@@]12C([C@@H](OCCCC)CC3C2CC[C@@]4(C)C3CCC4)=CC(CC1)=O,6.37675071,Active,344.59,4,4,0,2,5.071,26.3,0.190545,-1048.5776,4.3771,-0.2294,-0.04678,0.18262,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-38
896,Steroid,C[C@@]12C([C@@H](OCC3=CC=CC=C3)CC4C2CC[C@@]5(C)C4CCC5)=CC(CC1)=O,7.070581074,Active,378.6,3,5,0,2,5.325,26.3,0.182602726,-1161.684307,4.2883,-0.23151,-0.04939,0.18212,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-39
897,Steroid,C[C@@]12C([C@H](OC)CC3C2CC[C@@]4(C)C3CCC4)=CC(CC1)=O,6.26760624,Active,302.5,1,4,0,2,3.742,26.3,0.192813269,-930.6311915,4.3851,-0.23013,-0.0475,0.18263,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-40
898,Steroid,C[C@@]12C([C@H](OCC)CC3C2CC[C@@]4(C)C3CCC4)=CC(CC1)=O,5.853871964,Inactive,316.53,2,4,0,2,4.091,26.3,0.1925012,-969.9504191,4.3691,-0.22967,-0.04699,0.18268,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-41
899,Steroid,C[C@@]12C([C@H](OCCC)CC3C2CC[C@@]4(C)C3CCC4)=CC(CC1)=O,5.886056648,Inactive,330.56,3,4,0,2,4.614,26.3,0.191714276,-1009.264014,4.3738,-0.22952,-0.04688,0.18264,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-42
900,Steroid,C[C@@]12C([C@H](OCCCC)CC3C2CC[C@@]4(C)C3CCC4)=CC(CC1)=O,6.107905397,Active,344.59,4,4,0,2,5.071,26.3,0.190545,-1048.5776,4.3771,-0.2294,-0.04678,0.18262,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-43
901,Steroid,C[C@@]12C([C@H](OCC3=CC=CC=C3)CC4C2CC[C@@]5(C)C4CCC5)=CC(CC1)=O,5.602059991,Inactive,378.6,3,5,0,2,5.325,26.3,0.182602726,-1161.684307,4.2883,-0.23151,-0.04939,0.18212,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-44
902,Steroid,C[C@@]12C([C@@H](OC(C)=O)CC3C2CC[C@@]4(C)C3CCC4=O)=CC(C=C1)=O,5.958607315,Inactive,342.47,2,4,0,4,2.548,60.44,0.228684118,-1116.765484,1.1965,-0.23773,-0.0703,0.16743,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-45
903,Steroid,C[C@@]12C([C@@H](OC(CCCCC)=O)CC3C2CC[C@@]4(C)C3CCC4=O)=CC(C=C1)=O,6.677780705,Active,398.59,6,4,0,4,4.583,60.44,0.217885825,-1274.036742,3.479,-0.23777,-0.06371,0.17406,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-46
904,Steroid,C[C@@]12C([C@@H](OC(C3=CC=CC=C3)=O)CC4C2CC[C@@]5(C)C4CCC5=O)=CC(C=C1)=O,6.27572413,Active,404.54,3,5,0,4,4.212,60.44,0.207737155,-1308.518435,6.3614,-0.23697,-0.06368,0.17329,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-47
905,Steroid,C[C@@]12C([C@H](OC(C)=O)CC3C2CC[C@@]4(C)C3CCC4=O)=CC(C=C1)=O,5.301029996,Inactive,342.47,2,4,0,4,2.548,60.44,0.228684118,-1116.765484,1.1965,-0.23773,-0.0703,0.16743,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-48
906,Steroid,C[C@@]12C([C@H](OC(CCCCC)=O)CC3C2CC[C@@]4(C)C3CCC4=O)=CC(C=C1)=O,5.744727495,Inactive,398.59,6,4,0,4,4.583,60.44,0.217885825,-1274.036742,3.479,-0.23777,-0.06371,0.17406,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-49
907,Steroid,C[C@@]12C([C@H](OC(C3=CC=CC=C3)=O)CC4C2CC[C@@]5(C)C4CCC5=O)=CC(C=C1)=O,4.795880017,Inactive,404.54,3,5,0,4,4.212,60.44,0.207737155,-1308.518435,6.3614,-0.23697,-0.06368,0.17329,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-50
908,Steroid,C[C@@]12C([C@@H](OC)CC3C2CC[C@@]4(C)C3CCC4=O)=CC(C=C1)=O,6.207608311,Active,314.46,1,4,0,3,2.577,43.37,0.20505598,-1003.416893,4.1243,-0.23669,-0.06212,0.17457,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-51
909,Steroid,C[C@@]12C([C@@H](OCC)CC3C2CC[C@@]4(C)C3CCC4=O)=CC(C=C1)=O,6.251811973,Active,328.49,2,4,0,3,2.926,43.37,0.204764712,-1042.73465,3.1325,-0.23547,-0.0603,0.17517,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-52
910,Steroid,C[C@@]12C([C@@H](OCCCC)CC3C2CC[C@@]4(C)C3CCC4=O)=CC(C=C1)=O,6.337242168,Active,356.55,4,4,0,3,3.906,43.37,0.200700879,-1121.363255,4.2892,-0.23595,-0.06139,0.17456,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-53
911,Steroid,C[C@@]12C([C@@H](OCC3=CC=CC=C3)CC4C2CC[C@@]5(C)C4CCC5=O)=CC(C=C1)=O,6.823908741,Active,390.56,3,5,0,3,4.161,43.37,0.192877949,-1234.46864,2.8924,-0.23572,-0.06136,0.17436,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-54
912,Steroid,C[C@@]12C([C@H](OC)CC3C2CC[C@@]4(C)C3CCC4=O)=CC(C=C1)=O,6.356547324,Active,314.46,1,4,0,3,2.577,43.37,0.20505598,-1003.416893,4.1243,-0.23669,-0.06212,0.17457,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-55
913,Steroid,C[C@@]12C([C@H](OCC)CC3C2CC[C@@]4(C)C3CCC4=O)=CC(C=C1)=O,5.823908741,Inactive,328.49,2,4,0,3,2.926,43.37,0.204764712,-1042.73465,3.1325,-0.23547,-0.0603,0.17517,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-56
914,Steroid,C[C@@]12C([C@H](OCCCC)CC3C2CC[C@@]4(C)C3CCC4=O)=CC(C=C1)=O,6.180456064,Active,356.55,4,4,0,3,3.906,43.37,0.200700879,-1121.363255,4.2892,-0.23595,-0.06139,0.17456,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-57
915,Steroid,C[C@@]12C([C@H](OCC3=CC=CC=C3)CC4C2CC[C@@]5(C)C4CCC5=O)=CC(C=C1)=O,5.721246399,Inactive,390.56,3,5,0,3,4.161,43.37,0.192877949,-1234.46864,2.8924,-0.23572,-0.06136,0.17436,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-58
916,Steroid,C[C@@]12C(C(OC)=CC3C2CC[C@@]4(C)C3CCC4=O)=CC(CC1)=O,6.15490196,Active,314.46,1,4,0,3,2.351,43.37,0.215557265,-1003.429333,3.4215,-0.22207,-0.06077,0.1613,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-59
917,Steroid,C[C@@]12C(C(OCC)=CC3C2CC[C@@]4(C)C3CCC4=O)=CC(CC1)=O,6.124938737,Active,328.49,2,4,0,3,2.699,43.37,0.214584173,-1042.745936,3.5576,-0.21968,-0.06065,0.15903,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-60
918,Steroid,C[C@@]12C(C(OC)=CC3C2CC[C@@]4(C)C3CCC4=O)=CC(C=C1)=O,6.096910013,Active,312.44,1,4,0,3,2.327,43.37,0.209874319,-1002.202267,4.5341,-0.22353,-0.0662,0.15733,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-61
919,Steroid,C[C@@]12C(C(OCC)=CC3C2CC[C@@]4(C)C3CCC4=O)=CC(C=C1)=O,6.022276395,Active,326.47,2,4,0,3,2.676,43.37,0.20916446,-1041.51906,4.7067,-0.22105,-0.0658,0.15525,"Probing the binding pocket of the active site of aromatase with 2-phenylaliphatic androsta-1,4-diene-3,17-dione steroids",Steroids. 2010;75(4-5):330-62
920,Non-Steroid,C12=CC=CC=C1C3C(C3C4=CC=CC=C4)CC2,6.732828272,Active,220.33,1,4,0,0,4.303,0,0.154671303,-657.4294248,0.5444,-0.22543,3.00E-05,0.22546,Pyridyl-substituted tetrahydrocyclopropa[a]naphthalenes: highly active and selective inhibitors of P450 arom,J Med Chem. 1995;38(12):2103-11
921,Non-Steroid,COC1=C(CCC2C3C2C4=CC=CC=C4)C3=CC=C1,5.474955193,Inactive,250.36,2,4,0,1,4.287,9.23,0.171138865,-771.9472753,1.1576,-0.2092,0.0008,0.21,Pyridyl-substituted tetrahydrocyclopropa[a]naphthalenes: highly active and selective inhibitors of P450 arom,J Med Chem. 1995;38(12):2103-12
922,Non-Steroid,COC1=CC=C2C(CCC3C2C3C4=CC=CC=C4)=C1,7.161150909,Active,250.36,2,4,0,1,4.287,9.23,0.18153227,-771.9478534,1.0702,-0.2034,0.00095,0.20435,Pyridyl-substituted tetrahydrocyclopropa[a]naphthalenes: highly active and selective inhibitors of P450 arom,J Med Chem. 1995;38(12):2103-13
923,Non-Steroid,COC1=CC=C(CCC2C3C2C4=CC=CC=C4)C3=C1,7.214670165,Active,250.36,2,4,0,1,4.287,9.23,0.177007838,-771.9473467,1.2925,-0.20474,-0.00382,0.20092,Pyridyl-substituted tetrahydrocyclopropa[a]naphthalenes: highly active and selective inhibitors of P450 arom,J Med Chem. 1995;38(12):2103-14
924,Non-Steroid,CC1(C2=CC=CC=C2)C3CCC4=CC=C(OC)C=C4C31,6.431798276,Active,264.39,2,4,0,1,4.493,9.23,0.17780455,-811.2629023,1.3247,-0.20375,-0.00189,0.20186,Pyridyl-substituted tetrahydrocyclopropa[a]naphthalenes: highly active and selective inhibitors of P450 arom,J Med Chem. 1995;38(12):2103-15
925,Non-Steroid,BrC1=C2C(CCC3C2C3C4=CC=CC=C4)=C(OC)C=C1,5.366531544,Inactive,329.25,2,4,0,1,5.035,9.23,0.170095919,-3343.056175,2.5907,-0.21232,-0.00817,0.20415,Pyridyl-substituted tetrahydrocyclopropa[a]naphthalenes: highly active and selective inhibitors of P450 arom,J Med Chem. 1995;38(12):2103-16
926,Non-Steroid,BrC1=C(OC)C=C2C(CCC3C2C3C4=CC=CC=C4)=C1,5.853871964,Inactive,329.25,2,4,0,1,5.035,9.23,0.175803162,-3343.047939,2.5457,-0.22306,-0.01552,0.20754,Pyridyl-substituted tetrahydrocyclopropa[a]naphthalenes: highly active and selective inhibitors of P450 arom,J Med Chem. 1995;38(12):2103-17
927,Non-Steroid,OC1=C(CCC2C3C2C4=CC=CC=C4)C3=CC=C1,5.301029996,Inactive,236.33,1,4,1,1,4.036,20.23,0.184644412,-732.6399961,1.8884,-0.21245,-0.0062,0.20625,Pyridyl-substituted tetrahydrocyclopropa[a]naphthalenes: highly active and selective inhibitors of P450 arom,J Med Chem. 1995;38(12):2103-18
928,Non-Steroid,OC1=CC=C2C(CCC3C2C3C4=CC=CC=C4)=C1,6.48148606,Active,236.33,1,4,1,1,4.036,20.23,0.188695588,-732.6414793,1.6767,-0.20548,-0.00025,0.20523,Pyridyl-substituted tetrahydrocyclopropa[a]naphthalenes: highly active and selective inhibitors of P450 arom,J Med Chem. 1995;38(12):2103-19
929,Non-Steroid,OC1=CC=C(CCC2C3C2C4=CC=CC=C4)C3=C1,7.180456064,Active,236.33,1,4,1,1,4.036,20.23,0.190566559,-732.6409136,1.4311,-0.20872,-0.00634,0.20238,Pyridyl-substituted tetrahydrocyclopropa[a]naphthalenes: highly active and selective inhibitors of P450 arom,J Med Chem. 1995;38(12):2103-20
930,Steroid,C=C1CCC2C3CCC4=CC(CC[C@]4(CCSC)C3=CC[C@@]21C)=O,8,Active,342.59,3,4,0,1,4.625,42.37,0.209434278,-1329.774269,5.1942,-0.22089,-0.05033,0.17056,"RU54115, a tight-binding aromatase inhibitor potentially useful for the treatment of breast cancer",J Steroid Biochem Mol Biol. 1992;41(3-8):773-7
931,Non-Steroid,N#CC(C=C1)=CC=C1C2N3C(CCC2)=CN=C3,8.301029996,Active,223.3,1,3,0,2,2.271,41.61,0.203010333,-705.5639175,5.4907,-0.21999,-0.05828,0.16171,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-8
932,Non-Steroid,N#CC1=CC=C2C(CCC=C2N3C=NC=C3)=C1,8.522878745,Active,221.28,1,3,0,2,2.152,41.61,0.201047679,-704.342881,4.2328,-0.23453,-0.07501,0.15952,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-9
933,Non-Steroid,N#CC1=CC=C(CN2C=NC=C2)C3=C1C=CC=C3,8.698970004,Active,233.29,2,3,0,2,2.294,41.61,0.177902724,-742.4625335,4.8986,-0.23204,-0.07775,0.15429,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-10
934,Non-Steroid,CC1=C(C)OC2=C1C(CN3C=NC=C3)=CC=C2C#N,8.455931956,Active,251.31,2,3,0,3,2.321,54.75,0.217870031,-818.8847541,6.1534,-0.23088,-0.05936,0.17152,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-11
935,Non-Steroid,N#CC1=CC(CN2C=NC=C2)=CC=C1,6,Inactive,183.23,2,2,0,2,1.386,41.61,0.18810387,-588.8196298,6.7508,-0.2313,-0.06034,0.17096,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-12
937,Non-Steroid,BrC1=CC=C(CN2C=NC=C2)C=C1,7.070581074,Active,237.11,2,2,0,1,2.255,17.82,0.168615227,-3067.682355,3.1802,-0.2266,-0.02774,0.19886,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-13
938,Non-Steroid,O=C(C1=CC=C(CN2C=NC=C2)C=C1)C3=CC=CC=C3,8,Active,262.33,4,3,0,2,2.911,34.89,0.1740925,-840.9610427,5.3063,-0.2259,-0.06989,0.15601,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-14
939,Non-Steroid,O=[N+](C1=CC=C(CN2C=NC=C2)C=C1)[O-],8.259637311,Active,203.22,3,2,0,3,1.401,63.64,0.211069125,-701.0784661,4.0087,-0.2351,-0.09599,0.13911,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-15
940,Non-Steroid,N#CC1=CC=C(CN2C=NC=C2)C=C1,8,Active,183.23,2,2,0,2,1.386,41.61,0.189870348,-588.8203888,3.9687,-0.23368,-0.06184,0.17184,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-16
942,Non-Steroid,N#CC(C=C1)=CC=C1C(C2=CC=C(C#N)C=C2)N3C=CN=N3,7.920818754,Active,285.33,3,3,0,4,2.966,78.29,0.177979091,-928.1191448,1.7682,-0.27185,-0.07745,0.1944,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-17
944,Non-Steroid,N#CC(C=C1)=CC=C1C(C2=CC=C(C#N)C=C2)N3N=CN=N3,9,Active,286.32,3,3,0,5,2.839,91.18,0.188702406,-944.1544323,1.8455,-0.27386,-0.07706,0.1968,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-18
945,Non-Steroid,N#CC(C=C1)=CC=C1C(C2=CC=C(C#N)C=C2)N3C=CN=C3,8.455931956,Active,284.34,3,3,0,3,2.877,65.4,0.187846382,-912.1083485,4.1416,-0.23975,-0.07509,0.16466,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-19
947,Non-Steroid,N#CC(C=C1)=CC=C1C(C2=CC=CN=C2)C3=CC=C(C#N)C=C3,7.906578315,Active,295.36,3,3,0,3,3.696,60.47,0.182160444,-934.1827864,5.802,-0.25988,-0.06558,0.1943,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-20
950,Non-Steroid,N#CC(C=C1)=CC=C1C(N2C=NC=N2)C3=CC=CC=C3,7.031517051,Active,260.32,3,3,0,3,2.871,54.5,0.18367475,-835.9048662,5.0583,-0.25532,-0.05978,0.19554,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-21
951,Non-Steroid,BrC(C=C1)=CC=C1C(N2C=NC=N2)C3=CC=C(C#N)C=C3,8.15490196,Active,339.21,3,3,0,3,3.619,54.5,0.185398563,-3407.008891,3.8537,-0.25445,-0.06092,0.19353,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-22
952,Non-Steroid,CC(C1=CC=C(C#N)C=C1)(N2C=NC=N2)C3=CC=C(C#N)C=C3,8.045757491,Active,299.36,3,3,0,4,2.954,78.29,0.204311778,-967.4550761,4.7085,-0.26921,-0.06795,0.20126,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-23
953,Non-Steroid,CCC(C1=CC=C(C#N)C=C1)(N2C=NC=N2)C3=CC=C(C#N)C=C3,7.744727495,Active,313.39,4,3,0,4,3.478,78.29,0.201486641,-1006.764989,3.5282,-0.27314,-0.07406,0.19908,Structure-activity relationships and binding model of novel aromatase inhibitors,J Steroid Biochem Mol Biol. 1993;44(4-6):421-24
958,Steroid,O=C1CCC2C(C3CC[C@@]21C)CCC4=C3C=C(F)C(O)=C4,4.935542011,Inactive,288.39,0,4,1,3,3.979,37.3,0.223637667,-948.840168,2.5261,-0.2136,-0.01771,0.19589,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-8
959,Steroid,O=C1CCC2C(C3CC[C@@]21C)CCC4=C3C=C(Cl)C(O)=C4,5.638272164,Inactive,304.84,0,4,1,2,4.438,37.3,0.211743929,-1309.205706,2.8305,-0.21792,-0.01887,0.19905,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-9
960,Steroid,O=C1CCC2C(C3CC[C@@]21C)CCC4=C3C=C(Br)C(O)=C4,5.619788758,Inactive,349.29,0,4,1,2,4.522,37.3,0.212674071,-3420.715324,2.7685,-0.21672,-0.0188,0.19792,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-10
961,Steroid,O=C1CCC2C(C3CC[C@@]21C)CCC4=C3C=C(C)C(O)=C4,5.366531544,Inactive,284.43,0,4,1,2,4.259,37.3,0.218598578,-888.9310195,2.4878,-0.20591,-0.01488,0.19103,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-11
962,Steroid,O=C1CCC2C(C3CC[C@@]21C)CCC4=C3C=C(C=O)C(O)=C4,4.958607315,Inactive,298.41,1,4,1,3,3.533,54.37,0.21765725,-962.9330426,3.6448,-0.22603,-0.05135,0.17468,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-12
963,Steroid,O=C1CCC2C(C3CC[C@@]21C)CCC4=C3C=C(OC)C(O)=C4,4.769551079,Inactive,300.43,1,4,1,3,3.757,46.53,0.223365435,-964.1273423,3.5232,-0.20587,-0.01553,0.19034,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-13
964,Steroid,O=C1CCC2C(C3CC[C@@]21C)CCC4=C3C=C([N+]([O-])=O)C(O)=C4,4.823908741,Inactive,315.4,1,4,1,4,3.668,83.12,0.23470675,-1054.106396,5.4041,-0.23905,-0.07514,0.16391,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-14
965,Steroid,O=C1CCC2C(C3CC[C@@]21C)CCC4=C3C=C(N)C(O)=C4,4.508638306,Inactive,285.42,0,4,3,3,3.027,63.32,0.237076341,-904.9644707,2.5276,-0.18334,-0.01322,0.17012,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-15
966,Steroid,O=C1CCC2C(C3CC[C@@]21C)CCC4=C3C=CC(O)=C4F,4.585026652,Inactive,288.39,0,4,1,3,3.979,37.3,0.216551,-948.8459067,1.9541,-0.21627,-0.01757,0.1987,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-16
970,Steroid,[H][C@]1(O)CCC2C(C3CC[C@@]21C)CCC4=C3C=C(F)C(O)=C4,4.113509275,Inactive,290.41,0,4,2,3,4.018,40.46,0.217769682,-950.0379284,2.9595,-0.21181,0.00074,0.21255,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-17
972,Steroid,[H][C@]1(O)CCC2C(C3CC[C@@]21C)CCC4=C3C=C(Br)C(O)=C4,4.045757491,Inactive,351.31,0,4,2,2,4.561,40.46,0.207323409,-3421.913081,3.3584,-0.21511,-0.00844,0.20667,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-18
974,Steroid,[H][C@]1(O)CCC2C(C3CC[C@@]21C)CCC4=C3C=C(C=O)C(O)=C4,3.995678626,Inactive,300.43,1,4,2,3,3.572,57.53,0.212291413,-964.130854,4.4691,-0.22438,-0.04948,0.1749,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-19
975,Steroid,[H][C@]1(O)CCC2C(C3CC[C@@]21C)CCC4=C3C=C(OC)C(O)=C4,3.698970004,Inactive,302.45,1,4,2,3,3.796,49.69,0.2177795,-965.3251057,2.7119,-0.20443,0.00672,0.21115,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-20
976,Steroid,[H][C@]1(O)CCC2C(C3CC[C@@]21C)CCC4=C3C=CC(O)=C4F,4.055517328,Inactive,290.41,0,4,2,3,4.018,40.46,0.211152545,-950.0434423,0.8883,-0.21458,0.00088,0.21546,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-21
979,Steroid,[H][C@]1(O)CCC2C(C3CC[C@@]21C)CCC4=C3C=CC(O)=C4C=O,4.548213564,Inactive,300.43,1,4,2,3,3.572,57.53,0.204860391,-964.1265452,1.6436,-0.22572,-0.06375,0.16197,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-22
981,Steroid,OC1=CC([C@@H](C)CC2C3CC[C@@]4(C)C2CCC4=O)=C3C=C1,4.886056648,Inactive,284.43,0,4,1,2,4.025,37.3,0.211438533,-888.9253923,3.1431,-0.20976,-0.01395,0.19581,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-23
982,Steroid,OC1=CC([C@@H](CCCC)CC2C3CC[C@@]4(C)C2CCC4=O)=C3C=C1,4.455931956,Inactive,326.52,3,4,1,2,5.394,37.3,0.204782,-1006.86463,3.0717,-0.20928,-0.01367,0.19561,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-24
983,Steroid,OC1=CC([C@@H](C2=CC=CC=C2)CC3C4CC[C@@]5(C)C3CCC5=O)=C4C=C1,5.853871964,Inactive,346.5,1,5,1,2,5.057,37.3,0.198004212,-1080.659991,3.0856,-0.21023,-0.0142,0.19603,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-25
984,Steroid,OC1=CC([C@@H](CC2=CC=CC=C2)CC3C4CC[C@@]5(C)C3CCC5=O)=C4C=C1,5.455931956,Inactive,360.53,2,5,1,2,5.513,37.3,0.198014745,-1119.973761,3.1629,-0.21062,-0.01222,0.1984,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-26
985,Steroid,OC1=CC([C@@H](OC)CC2C3CC[C@@]4(C)C2CCC4=O)=C3C=C1,4.229147988,Inactive,300.43,1,4,1,3,3.08,46.53,0.209665174,-964.1267007,3.0108,-0.21139,-0.01475,0.19664,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-27
986,Steroid,OC1=CC([C@@H](OCC)CC2C3CC[C@@]4(C)C2CCC4=O)=C3C=C1,4.13076828,Inactive,314.46,2,4,1,3,3.429,46.53,0.208474469,-1003.446081,2.927,-0.21101,-0.01455,0.19646,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-28
987,Steroid,OC1=CC([C@@H](OCCCC)CC2C3CC[C@@]4(C)C2CCC4=O)=C3C=C1,3.769551079,Inactive,342.52,4,4,1,3,4.409,46.53,0.203994364,-1082.073914,2.0763,-0.20928,-0.01535,0.19393,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-29
988,Steroid,OC1=CC([C@H](C)CC2C3CC[C@@]4(C)C2CCC4=O)=C3C=C1,5.48148606,Inactive,284.43,0,4,1,2,4.025,37.3,0.211438533,-888.9253923,3.1431,-0.20976,-0.01395,0.19581,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-30
989,Steroid,OC1=CC([C@H](CCCC)CC2C3CC[C@@]4(C)C2CCC4=O)=C3C=C1,5.045757491,Inactive,326.52,3,4,1,2,5.394,37.3,0.204782,-1006.86463,3.0717,-0.20928,-0.01367,0.19561,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-31
990,Steroid,OC1=CC([C@H](C2=CC=CC=C2)CC3C4CC[C@@]5(C)C3CCC5=O)=C4C=C1,4.920818754,Inactive,346.5,1,5,1,2,5.057,37.3,0.198004212,-1080.659991,3.0856,-0.21023,-0.0142,0.19603,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-32
992,Steroid,OC1=CC([C@H](CCCC2=CC=CC=C2)CC3C4CC[C@@]5(C)C3CCC5=O)=C4C=C1,4.522878745,Inactive,388.59,4,5,1,2,6.426,37.3,0.194809328,-1198.600761,3.2602,-0.2101,-0.01349,0.19661,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-33
993,Steroid,OC1=CC([C@H](OC)CC2C3CC[C@@]4(C)C2CCC4=O)=C3C=C1,4.30980392,Inactive,300.43,1,4,1,3,3.08,46.53,0.209665174,-964.1267007,3.0108,-0.21139,-0.01475,0.19664,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-34
994,Steroid,OC1=CC([C@H](OCC)CC2C3CC[C@@]4(C)C2CCC4=O)=C3C=C1,4.075720714,Inactive,314.46,2,4,1,3,3.429,46.53,0.208474469,-1003.446081,2.927,-0.21101,-0.01455,0.19646,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-35
995,Steroid,OC1=CC([C@H](OCCCC)CC2C3CC[C@@]4(C)C2CCC4=O)=C3C=C1,3.759450752,Inactive,342.52,4,4,1,3,4.409,46.53,0.203994364,-1082.073914,2.0763,-0.20928,-0.01535,0.19393,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-36
996,Steroid,OC1=CC([C@@H](C)CC2C3CC[C@@]4(C)C2CC[C@@H]4O)=C3C=C1,4.721246399,Inactive,286.45,0,4,2,2,4.065,40.46,0.208221277,-890.1204866,2.3964,-0.20671,0.00568,0.21239,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-37
997,Steroid,OC1=CC([C@@H](CCCC)CC2C3CC[C@@]4(C)C2CC[C@@H]4O)=C3C=C1,4.552841969,Inactive,328.54,3,4,2,2,5.433,40.46,0.202248089,-1008.059585,2.2818,-0.20633,0.00579,0.21212,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-38
998,Steroid,OC1=CC([C@@H](C2=CC=CC=C2)CC3C4CC[C@@]5(C)C3CC[C@@H]5O)=C4C=C1,3.88941029,Inactive,348.52,1,5,2,2,5.097,40.46,0.196009963,-1081.855003,2.4599,-0.20721,-0.00017,0.20704,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-39
1000,Steroid,OC1=CC([C@@H](OC)CC2C3CC[C@@]4(C)C2CC[C@@H]4O)=C3C=C1,4.004364805,Inactive,302.45,1,4,2,3,3.119,49.69,0.206161417,-965.3224377,2.304,-0.20643,0.00498,0.21141,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-40
1003,Steroid,OC1=CC([C@H](C)CC2C3CC[C@@]4(C)C2CC[C@@H]4O)=C3C=C1,4.214670165,Inactive,286.45,0,4,2,2,4.065,40.46,0.208221277,-890.1204866,2.3964,-0.20671,0.00568,0.21239,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-41
1004,Steroid,OC1=CC([C@H](CCCC)CC2C3CC[C@@]4(C)C2CC[C@@H]4O)=C3C=C1,4.356547324,Inactive,328.54,3,4,2,2,5.433,40.46,0.202248089,-1008.059585,2.2818,-0.20633,0.00579,0.21212,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-42
1005,Steroid,OC1=CC([C@H](C2=CC=CC=C2)CC3C4CC[C@@]5(C)C3CC[C@@H]5O)=C4C=C1,3.88941029,Inactive,348.52,1,5,2,2,5.097,40.46,0.196009963,-1081.855003,2.4599,-0.20721,-0.00017,0.20704,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-43
1007,Steroid,OC1=CC([C@H](CCCC2=CC=CC=C2)CC3C4CC[C@@]5(C)C3CC[C@@H]5O)=C4C=C1,4.552841969,Inactive,390.61,4,5,2,2,6.465,40.46,0.192858111,-1199.79578,2.5476,-0.20714,0.00485,0.21199,"Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors",J Steroid Biochem Mol Biol. 2005;96(1):51-44
1011,Steroid,C[C@@]12C(CCC3C2CC[C@@]4(C)C3CCC4=O)=CC([C@H](F)C1)=O,6.013228266,Active,304.44,0,4,0,3,3.553,34.14,0.21143634,-989.3596677,3.8327,-0.23737,-0.05949,0.17788,Structure-activity relationships of 2alpha-substituted androstenedione analogs as aromatase inhibitors and their aromatization reactions,J Steroid Biochem Mol Biol. 2005;97(4):353-9
1012,Steroid,C[C@@]12C(CCC3C2CC[C@@]4(C)C3CCC4=O)=CC([C@H](Cl)C1)=O,5.853871964,Inactive,320.89,0,4,0,2,3.817,34.14,0.211773936,-1349.72331,4.2896,-0.2384,-0.06408,0.17432,Structure-activity relationships of 2alpha-substituted androstenedione analogs as aromatase inhibitors and their aromatization reactions,J Steroid Biochem Mol Biol. 2005;97(4):353-10
1013,Steroid,C[C@@]12C(CCC3C2CC[C@@]4(C)C3CCC4=O)=CC([C@H](Br)C1)=O,5.657577319,Inactive,365.34,0,4,0,2,3.962,34.14,0.211083319,-3461.235725,4.1724,-0.23813,-0.0658,0.17233,Structure-activity relationships of 2alpha-substituted androstenedione analogs as aromatase inhibitors and their aromatization reactions,J Steroid Biochem Mol Biol. 2005;97(4):353-11
1014,Steroid,C[C@@]12C(CCC3C2CC[C@@]4(C)C3CCC4=O)=CC([C@H](C)C1)=O,6.337242168,Active,300.48,0,4,0,2,3.756,34.14,0.21030616,-929.4431335,3.7326,-0.2301,-0.04626,0.18384,Structure-activity relationships of 2alpha-substituted androstenedione analogs as aromatase inhibitors and their aromatization reactions,J Steroid Biochem Mol Biol. 2005;97(4):353-12
1015,Steroid,C[C@@]12C(CCC3C2CC[C@@]4(C)C3CCC4=O)=CC([C@H](CC)C1)=O,6.318758763,Active,314.51,1,4,0,2,4.213,34.14,0.208216566,-968.7565913,3.728,-0.22957,-0.04641,0.18316,Structure-activity relationships of 2alpha-substituted androstenedione analogs as aromatase inhibitors and their aromatization reactions,J Steroid Biochem Mol Biol. 2005;97(4):353-13
1016,Steroid,C[C@@]12C(CCC3C2CC[C@@]4(C)C3CCC4=O)=CC([C@H](O)C1)=O,4.815308569,Inactive,302.45,0,4,1,3,2.613,54.37,0.218847479,-965.3401504,2.8872,-0.23419,-0.0554,0.17879,Structure-activity relationships of 2alpha-substituted androstenedione analogs as aromatase inhibitors and their aromatization reactions,J Steroid Biochem Mol Biol. 2005;97(4):353-14
1017,Steroid,C[C@@]12C(CCC3C2CC[C@@]4(C)C3CCC4=O)=CC([C@H](OC)C1)=O,4.928117993,Inactive,316.48,1,4,0,3,3.022,43.37,0.208510961,-1004.64704,2.7925,-0.22529,-0.05177,0.17352,Structure-activity relationships of 2alpha-substituted androstenedione analogs as aromatase inhibitors and their aromatization reactions,J Steroid Biochem Mol Biol. 2005;97(4):353-15
1018,Steroid,C[C@@]12C(CCC3C2CC[C@@]4(C)C3CCC4=O)=CC([C@H](OCC)C1)=O,5.214670165,Inactive,330.51,2,4,0,3,3.371,43.37,0.207320759,-1043.966254,2.8175,-0.22424,-0.05124,0.173,Structure-activity relationships of 2alpha-substituted androstenedione analogs as aromatase inhibitors and their aromatization reactions,J Steroid Biochem Mol Biol. 2005;97(4):353-16
1021,Steroid,O=C1CCC2C3CC=C4[C@@H](C)CCC[C@]4(C)C3CC[C@@]21C,5.744727495,Inactive,286.5,0,4,0,1,4.687,17.07,0.19087351,-855.4294852,2.9381,-0.22711,-0.0104,0.21671,Structure-activity relationships of 3-deoxy androgens as aromatase inhibitors. Synthesis and biochemical studies of 4-substituted 4-ene and 5-ene steroids,Steroids. 2003 Aug;68(6):533-42
1022,Steroid,O=C1CCC2C3CC=C4[C@@H](CC)CCC[C@]4(C)C3CC[C@@]21C,5.346787486,Inactive,300.53,1,4,0,1,5.143,17.07,0.189988722,-894.7401327,2.9179,-0.22695,-0.01042,0.21653,Structure-activity relationships of 3-deoxy androgens as aromatase inhibitors. Synthesis and biochemical studies of 4-substituted 4-ene and 5-ene steroids,Steroids. 2003 Aug;68(6):533-43
1023,Steroid,O=C1CCC2C3CC=C4[C@@H](CCC)CCC[C@]4(C)C3CC[C@@]21C,5.259637311,Inactive,314.56,2,4,0,1,5.599,17.07,0.18883614,-934.049737,2.6175,-0.2276,-0.01471,0.21289,Structure-activity relationships of 3-deoxy androgens as aromatase inhibitors. Synthesis and biochemical studies of 4-substituted 4-ene and 5-ene steroids,Steroids. 2003 Aug;68(6):533-44
1026,Steroid,O=C1CCC2C3CCC4=C(OC(C)=O)CCC[C@]4(C)C3CC[C@@]21C,6.180456064,Active,330.51,2,4,0,3,3.772,43.37,0.219589296,-1043.99364,2.2815,-0.22775,-0.01188,0.21587,Structure-activity relationships of 3-deoxy androgens as aromatase inhibitors. Synthesis and biochemical studies of 4-substituted 4-ene and 5-ene steroids,Steroids. 2003 Aug;68(6):533-45
1027,Steroid,O=C1CCC2C3CCC4=C(OC(C)=O)CCC[C@]4(CO)C3CC[C@@]21C,5.443697499,Inactive,346.51,3,4,1,4,2.681,63.6,0.223803982,-1119.202104,3.9932,-0.23065,-0.01318,0.21747,Structure-activity relationships of 3-deoxy androgens as aromatase inhibitors. Synthesis and biochemical studies of 4-substituted 4-ene and 5-ene steroids,Steroids. 2003 Aug;68(6):533-46
1028,Steroid,O=C1CCC2C3CCC4=C(OC(CCC)=O)CCC[C@]4(C)C3CC[C@@]21C,5.823908741,Inactive,358.57,4,4,0,3,4.895,43.37,0.215532917,-1122.62049,2.4512,-0.22726,-0.01169,0.21557,Structure-activity relationships of 3-deoxy androgens as aromatase inhibitors. Synthesis and biochemical studies of 4-substituted 4-ene and 5-ene steroids,Steroids. 2003 Aug;68(6):533-47
1029,Steroid,O=C1CCC2C3CCC4=C(OC(CCCCC)=O)CCC[C@]4(C)C3CC[C@@]21C,5.744727495,Inactive,386.63,6,4,0,3,5.808,43.37,0.211392955,-1201.248132,2.4934,-0.22704,-0.01168,0.21536,Structure-activity relationships of 3-deoxy androgens as aromatase inhibitors. Synthesis and biochemical studies of 4-substituted 4-ene and 5-ene steroids,Steroids. 2003 Aug;68(6):533-48
1030,Steroid,O=C1CCC2C3CCC4=C(OC(C5=CC=CC=C5)=O)CCC[C@]4(C)C3CC[C@@]21C,6.193820026,Active,392.58,3,5,0,3,5.437,43.37,0.202679492,-1235.722894,2.2876,-0.22524,-0.04674,0.1785,Structure-activity relationships of 3-deoxy androgens as aromatase inhibitors. Synthesis and biochemical studies of 4-substituted 4-ene and 5-ene steroids,Steroids. 2003 Aug;68(6):533-49
1033,Non-Steroid,FC1=CC(CN(C2=CC=C(C#N)C=C2)C3=CN=CN=C3)=CC(F)=C1,10.4202164,Active,322.34,4,3,0,6,3.681,52.81,0.221268889,-1111.784738,3.7871,-0.2316,-0.06575,0.16585,"Studies on aromatase inhibitors. IV. Synthesis and biological evaluation of N,N-disubstituted-5-aminopyrimidine derivatives",Chem Pharm Bull. 1997;45(8):1293-9
1034,Non-Steroid,BrC(C=C1)=CC=C1CN(C2=CC=C(C#N)C=C2)N3C=NN=C3,9.886056648,Active,354.23,4,3,0,4,3.415,57.74,0.200624353,-3462.310164,5.0826,-0.24256,-0.05357,0.18899,"Studies on aromatase inhibitors. IV. Synthesis and biological evaluation of N,N-disubstituted-5-aminopyrimidine derivatives",Chem Pharm Bull. 1997;45(8):1293-10
1035,Non-Steroid,C12=CC=CC=C1C=C(C(C3=CC=CC=C3)N4C=CN=C4)O2,7.363512104,Active,274.34,3,4,0,2,3.714,30.96,0.183124771,-879.0536537,4.0902,-0.22188,-0.02984,0.19204,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-6
1036,Non-Steroid,ClC(C=C1)=CC=C1C(N2C=CN=C2)C3=CC4=CC=CC=C4O3,8.113509275,Active,308.78,3,4,0,2,4.378,30.96,0.179111657,-1338.648956,3.3893,-0.2241,-0.0329,0.1912,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-7
1037,Non-Steroid,FC(C=C1)=CC=C1C(N2C=CN=C2)C3=CC4=CC=CC=C4O3,8.13667714,Active,292.33,3,4,0,3,3.919,30.96,0.199813686,-978.2866721,3.2547,-0.2224,-0.0279,0.1945,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-8
1039,Non-Steroid,CC1=CC=CC=C1C(N2C=CN=C2)C3=CC4=CC=CC=C4O3,8.102372909,Active,288.37,3,4,0,2,4.2,30.96,0.192650342,-918.3658578,3.6516,-0.21827,-0.02497,0.1933,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-9
1040,Non-Steroid,CC(C=C1)=CC=C1C(N2C=CN=C2)C3=CC4=CC=CC=C4O3,8.055517328,Active,288.37,3,4,0,2,4.2,30.96,0.190483263,-918.3669426,4.099,-0.22018,-0.03505,0.18513,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-10
1041,Non-Steroid,BrC1=C2C(OC(C(C3=CC=CC=C3Cl)N4C=CN=C4)=C2)=CC=C1,7.91721463,Active,387.67,3,4,0,2,5.127,30.96,0.176634971,-3909.743784,3.5673,-0.22204,-0.03889,0.18315,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-11
1042,Non-Steroid,ClC1=CC=CC=C1C(N2C=CN=C2)C3=CC4=CC=CC=C4O3,7.709965389,Active,308.78,3,4,0,2,4.378,30.96,0.181638686,-1338.641997,3.6895,-0.21833,-0.03086,0.18747,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-12
1043,Non-Steroid,COC1=CC=CC=C1C(N2C=CN=C2)C3=CC4=CC=CC=C4O3,7.705533774,Active,304.37,4,4,0,3,3.697,40.19,0.199808949,-993.5739843,3.8385,-0.21232,-0.01879,0.19353,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-13
1044,Non-Steroid,ClC1=CC=C(Cl)C=C1C(N2C=CN=C2)C3=CC4=C(Cl)C=CC=C4O3,7.537602002,Active,377.66,3,4,0,2,5.707,30.96,0.173839057,-2257.831238,4.493,-0.22736,-0.0454,0.18196,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-14
1045,Non-Steroid,ClC1=C2C(OC(C(C3=CC=CC=C3)N4C=CN=C4)=C2)=CC=C1,7.482804102,Active,308.78,3,4,0,2,4.378,30.96,0.179391143,-1338.649201,3.9206,-0.22509,-0.04041,0.18468,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-15
1046,Non-Steroid,ClC1=C2C(OC(C(C3=CC=CC=C3)N4C=CN=C4)=C2)=CC(Cl)=C1,7.428291168,Active,343.22,3,4,0,2,5.043,30.96,0.175084029,-1798.242357,3.4534,-0.22837,-0.05042,0.17795,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-16
1047,Non-Steroid,CC1=C(C(C2=CC=CC=C2)N3C=CN=C3)OC4=CC=CC=C41,7.308918508,Active,288.37,3,4,0,2,4.2,30.96,0.182935368,-918.3705344,3.5026,-0.21635,-0.02426,0.19209,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-17
1048,Non-Steroid,ClC1=C2C(OC(C(C3=CC=CC=C3Cl)N4C=CN=C4)=C2)=CC=C1,7.172630727,Active,343.22,3,4,0,2,5.043,30.96,0.177950943,-1798.234133,3.4827,-0.2223,-0.03886,0.18344,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-18
1049,Non-Steroid,BrC1=C2C(OC(C(C3=CC=CC=C3)N4C=CN=C4)=C2)=CC=C1,7.133712661,Active,353.23,3,4,0,2,4.462,30.96,0.178118143,-3450.158858,3.9049,-0.22482,-0.04058,0.18424,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-19
1050,Non-Steroid,CC1=C2C(OC(C(C3=CC=CC=C3Cl)N4C=CN=C4)=C2)=CC=C1,7.037157319,Active,322.81,3,4,0,2,4.864,30.96,0.187452474,-1377.956809,5.1414,-0.21439,-0.03345,0.18094,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-20
1051,Non-Steroid,C12=CC=CC=C1C=C(C(C3=CC=C(C4=CC=CC=C4)C=C3)N5C=CN=C5)O2,6.616184634,Active,350.44,4,5,0,2,5.232,30.96,0.174608578,-1110.111083,4.1474,-0.22124,-0.03342,0.18782,Substituted 1-[benzofuran-2-yl)-phenylmethyl]-imidazoles as potent inhibitors of aromatase in vitro and in female rats in vivo,J Steroid Biochem Mol Biol. 1993;44(4-6):675-21
1055,Non-Steroid,FC1=CC=C(C(C2=CC=C(NC=C3)C3=C2)N4C=CN=C4)C=C1,7.580044252,Active,291.35,3,4,1,2,3.618,33.61,0.199062083,-958.4266027,5.7561,-0.21071,-0.02126,0.18945,Synthesis and biological evaluation of 5-[(aryl)(1H-imidazol-1-yl)methyl]-1H-indoles: potent and selective aromatase inhibitors,Bioorg Med Chem Lett. 2006;16(5):1134-7
1056,Non-Steroid,ClC1=CC=C(C(C2=CC=C(NC=C3)C3=C2)N4C=CN=C4)C=C1,7.815308569,Active,307.8,3,4,1,1,4.077,33.61,0.17898025,-1318.790188,6.5672,-0.21434,-0.0238,0.19054,Synthesis and biological evaluation of 5-[(aryl)(1H-imidazol-1-yl)methyl]-1H-indoles: potent and selective aromatase inhibitors,Bioorg Med Chem Lett. 2006;16(5):1134-8
1057,Non-Steroid,ClC1=CC=CC(C(C2=CC=C(NC=C3)C3=C2)N4C=CN=C4)=C1,7.527243551,Active,307.8,3,4,1,1,4.077,33.61,0.179072611,-1318.789017,4.9861,-0.21135,-0.02513,0.18622,Synthesis and biological evaluation of 5-[(aryl)(1H-imidazol-1-yl)methyl]-1H-indoles: potent and selective aromatase inhibitors,Bioorg Med Chem Lett. 2006;16(5):1134-9
1058,Non-Steroid,CN(C=C1)C(C1=C2)=CC=C2C(N3C=CN=C3)C4=CC=CC=C4,7.53313238,Active,287.39,3,4,0,1,3.618,22.75,0.175974949,-898.5057289,5.563,-0.20394,-0.01641,0.18753,Synthesis and biological evaluation of 5-[(aryl)(1H-imidazol-1-yl)methyl]-1H-indoles: potent and selective aromatase inhibitors,Bioorg Med Chem Lett. 2006;16(5):1134-10
1059,Non-Steroid,N#CC1=CC=C(C(C2=CC=C(NC=C3)C3=C2)N4C=CN=C4)C=C1,7.714442691,Active,298.37,3,4,1,2,3.291,57.4,0.197092243,-951.4360735,7.7462,-0.21726,-0.0578,0.15946,Synthesis and biological evaluation of 5-[(aryl)(1H-imidazol-1-yl)methyl]-1H-indoles: potent and selective aromatase inhibitors,Bioorg Med Chem Lett. 2006;16(5):1134-11
1060,Non-Steroid,COC1=CC=C(C(N2C=NC=N2)CC(C3=CC=CC=C3)O4)C4=C1,5.853871964,Inactive,307.38,3,4,0,4,2.869,49.17,0.199200975,-1010.831778,3.1341,-0.21433,-0.00545,0.20888,Synthesis and evaluation of 4-triazolylflavans as new aromatase inhibitors,Bioorg Med Chem Lett. 2004;14(20):5215-8
1061,Non-Steroid,COC1=CC=C(C(N2C=NN=C2)CC(C3=CC=CC=C3)O4)C4=C1,4.500312917,Inactive,307.38,3,4,0,4,2.472,49.17,0.200735625,-1010.81805,6.6805,-0.22519,-0.01374,0.21145,Synthesis and evaluation of 4-triazolylflavans as new aromatase inhibitors,Bioorg Med Chem Lett. 2004;14(20):5215-9
1062,Non-Steroid,OC1=CC=C(C(N2C=NC=N2)CC(C3=CC=CC=C3)O4)C4=C1,6.366531544,Active,293.35,2,4,1,4,2.617,60.17,0.20905873,-971.5265989,3.5832,-0.22611,-0.01331,0.2128,Synthesis and evaluation of 4-triazolylflavans as new aromatase inhibitors,Bioorg Med Chem Lett. 2004;14(20):5215-10
1063,Non-Steroid,COC1=CC=C(C(N2C=NC=C2)CC(C3=CC=CC=C3)O4)C4=C1,7.040958608,Active,306.39,3,4,0,3,2.996,36.28,0.188726244,-994.7934514,4.4578,-0.21792,-0.00869,0.20923,Synthesis and evaluation of 4-triazolylflavans as new aromatase inhibitors,Bioorg Med Chem Lett. 2004;14(20):5215-11
1064,Non-Steroid,OC1=CC=C(C(N2C=NC=C2)CC(C3=CC=CC=C3)O4)C4=C1,7.387216143,Active,292.36,2,4,1,3,2.745,47.28,0.198564658,-955.4867737,4.2736,-0.22013,-0.01014,0.20999,Synthesis and evaluation of 4-triazolylflavans as new aromatase inhibitors,Bioorg Med Chem Lett. 2004;14(20):5215-12
1065,Steroid,C=C1CCC2C3CCC4=CC(CC[C@]4(C5=NC5)C3CC[C@@]21C)=O,5.259637311,Inactive,309.49,1,5,0,2,3.755,29.43,0.20923504,-946.3820926,2.3698,-0.23946,-0.05963,0.17983,"Synthesis of 10 beta-(1'-azirinyl)estr-4-en-3,17-dione as an aromatase inhibitor",Steroids. 1996;61(3):138-43
1066,Steroid,O=C1CCC2C(CCC3C2CCC4(C)C3CCC4=C)=C1F,6.318758763,Active,288.44,0,4,0,2,4.195,17.07,0.197028717,-914.1259872,4.9901,-0.24218,-0.04896,0.19322,"Synthesis and evaluation of analogues of 4-androstene-3,17-dione as aromatase inhibitors",Steroids. 1987;49(4-5):371-82
1067,Steroid,O=C1CCC2(C)C(CCC3C2CCC4(C)C3CCC4=C)=C1F,6.37675071,Active,302.47,0,4,0,2,4.401,17.07,0.199522898,-953.4338497,4.9732,-0.24164,-0.04919,0.19245,"Synthesis and evaluation of analogues of 4-androstene-3,17-dione as aromatase inhibitors",Steroids. 1987;49(4-5):371-82
1073,Non-Steroid,O=C(C1=CC=CC=C1C/2)C2=C\C3=CC(OCCCN4C=CN=C4)=CC(OC)=C3,6.259637311,Active,374.47,7,4,0,4,3.578,53.35,0.20659654,-1224.845751,2.3163,-0.22177,-0.07614,0.14563,Synthesis of some imidazolyl-substituted 2-benzylidene indanone derivatives as potent aromatase inhibitors for breast cancer therapy,Med Chem Res. 2011;20(6):661-669
1074,Non-Steroid,O=C(C1=CC=CC=C1C/2)C2=C\C3=CC(OC)=CC(OCCCN4C=NC=C4)=C3,5.872895202,Inactive,374.47,7,4,0,4,3.578,53.35,0.20668086,-1224.845844,5.1039,-0.22251,-0.07655,0.14596,Synthesis of some imidazolyl-substituted 2-benzylidene indanone derivatives as potent aromatase inhibitors for breast cancer therapy,Med Chem Res. 2011;20(6):661-670
1076,Non-Steroid,O=C(C1=CC=CC=C1C/2)C2=C\C3=CC=CC(OCCCN4C=NC=C4)=C3,6.15490196,Active,344.44,6,4,0,3,3.594,44.12,0.191712,-1110.322723,5.2462,-0.22433,-0.0788,0.14553,Synthesis of some imidazolyl-substituted 2-benzylidene indanone derivatives as potent aromatase inhibitors for breast cancer therapy,Med Chem Res. 2011;20(6):661-671
1079,Non-Steroid,O=C(C1=CC=CC=C1CC/2)C2=C\C3=CN=CC=C3,5.036212173,Inactive,235.3,1,3,0,2,3.112,29.96,0.177944742,-747.5026514,4.7927,-0.23789,-0.07635,0.16154,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 17,J Med Chem. 1996;39(4):834-41
1080,Non-Steroid,O=C(C1=CC=CC=C1CC/2)C2=C\C3=CC=NC=C3,5.337242168,Inactive,235.3,1,3,0,2,3.112,29.96,0.182234387,-747.5029348,3.5439,-0.24771,-0.07967,0.16804,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 18,J Med Chem. 1996;39(4):834-42
1081,Non-Steroid,O=C(C1=CC=CC=C1CC/2)C2=C\C3=NC=CN=C3,4.420216403,Inactive,236.29,1,3,0,3,2.39,42.85,0.188851233,-763.5355689,3.1528,-0.24612,-0.08167,0.16445,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 19,J Med Chem. 1996;39(4):834-43
1083,Non-Steroid,O=C(C1=CC=CC=C1CC/2)C2=C\C3=CC=NN=C3,3.987162775,Inactive,236.29,1,3,0,3,2.645,42.85,0.180967767,-763.5062026,3.8751,-0.23535,-0.08866,0.14669,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 20,J Med Chem. 1996;39(4):834-44
1086,Non-Steroid,O=C(C1=CC=CC=C1CC/2)C2=C\C3=CN=CS3,5.958607315,Inactive,241.33,1,3,0,2,3.01,58.2,0.18923425,-1068.26959,2.4354,-0.23194,-0.08296,0.14898,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 21,J Med Chem. 1996;39(4):834-45
1087,Non-Steroid,O=C(C1=CC=CC=C1CC/2)C2=C\C3=NNC=C3,4.744727495,Inactive,224.28,1,3,1,2,3.136,45.75,0.208097414,-725.4221993,5.1867,-0.22399,-0.06489,0.1591,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 22,J Med Chem. 1996;39(4):834-46
1088,Non-Steroid,O=C(C1=CC=CC=C1CC/2)C2=C\C3=CNC=N3,6.585026652,Active,224.28,1,3,1,2,2.579,45.75,0.214178172,-725.443638,4.9494,-0.21051,-0.05884,0.15167,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 23,J Med Chem. 1996;39(4):834-47
1089,Non-Steroid,O=C(C1=CC=CC=C1CC/2)C2=C/C3=CNC=N3,6.769551079,Active,224.28,1,3,1,2,2.579,45.75,0.214178172,-725.443638,4.9494,-0.21051,-0.05884,0.15167,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 24,J Med Chem. 1996;39(4):834-48
1093,Non-Steroid,O=C1C(C(O)C2=NC=NC=C2)CCC3=CC=CC=C31,4.568636236,Inactive,254.31,2,3,1,4,1.985,63.08,0.215838364,-839.9734205,4.3576,-0.24114,-0.05509,0.18605,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 25,J Med Chem. 1996;39(4):834-49
1096,Non-Steroid,C12=CC=CC=C1C3C(C3C4=CN=CC=C4)CC2,4.886056648,Inactive,221.32,1,4,0,1,3.152,12.89,0.161064625,-673.4680585,2.3306,-0.22366,-0.01826,0.2054,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 26,J Med Chem. 1996;39(4):834-50
1097,Non-Steroid,C12=CC=CC=C1C3C(C3C4=CC=NC=C4)CC2,6.431798276,Active,221.32,1,4,0,1,3.152,12.89,0.165368844,-673.4697572,3.0614,-0.22896,-0.02388,0.20508,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 27,J Med Chem. 1996;39(4):834-51
1099,Non-Steroid,C12=CC=CC=C1C3C(C3C4=NNC=C4)CC2,4.292429824,Inactive,210.3,1,4,1,1,2.965,28.68,0.188054433,-651.3836312,2.2982,-0.21333,0.0032,0.21653,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 28,J Med Chem. 1996;39(4):834-52
1100,Non-Steroid,C12=CC=CC=C1C3C(C3C4=CNC=N4)CC2,6.22184875,Active,210.3,1,4,1,1,2.408,28.68,0.191865933,-651.4025712,3.6224,-0.20115,0.00754,0.20869,Tetrahydronaphthalenes: influence of heterocyclic substituents on inhibition of steroid enzymes P450 arom and P450 29,J Med Chem. 1996;39(4):834-53
1101,Steroid,C[C@@]12C(CCC2=O)C3C(C=C4CCCC[C@]4(CO)C3CC1)=O,4.2518,Inactive,302.45,1,4,1,3,2.414,54.37,0.215961708,-965.3411226,4.8998,-0.22851,-0.05255,0.17596,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-200
1102,Steroid,C[C@]12C(C3C(C=C4CCCC[C@@]4(C3CC2)CO)=O)CC[C@@H]1O,3.8539,Inactive,304.47,1,4,2,3,2.453,57.53,0.2133168,-966.5236839,5.8687,-0.23661,-0.04967,0.18694,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-201
1103,Steroid,C[C@@]12C(CCC2=O)C3C(C=C4CCCC[C@]4(C=O)C3CC1)=O,4.2218,Inactive,300.43,1,4,0,3,2.67,51.21,0.214614891,-964.1408435,2.989,-0.23657,-0.06608,0.17049,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-202
1104,Steroid,C[C@@]12C(CCC2=O)C3C(C=C4CCCCC4C3CC1)=O,4.5528,Inactive,272.42,0,4,0,2,3.298,34.14,0.209085409,-850.8325227,3.3737,-0.23178,-0.04773,0.18405,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-203
1105,Steroid,C[C@]12C(C3C(C=C4CCCC[C@@]4(C3CC2)C)=O)CC[C@@H]1O,4.3768,Inactive,288.47,0,4,1,2,3.544,37.3,0.209748714,-891.3195851,4.36,-0.22898,-0.04783,0.18115,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-204
1106,Steroid,C[C@@]12C(CCC2=O)C3C(C=C4C=CCC[C@]4(CO)C3CC1)=O,4.2218,Inactive,300.43,1,4,1,3,1.969,54.37,0.209459065,-964.0230314,4.9446,-0.20016,-0.06437,0.13579,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-205
1107,Steroid,C[C@@]12C(CCC2=O)C3C(C=C4C=CCC[C@]4(C=O)C3CC1)=O,4.9586,Inactive,298.41,1,4,0,3,2.226,51.21,0.210125955,-962.8152824,3.7699,-0.21678,-0.07877,0.13801,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-206
1108,Steroid,C[C@@]12C(CCC2=O)C3C(C=C4C=CCCC4C3CC1)=O,4.4815,Inactive,270.4,0,4,0,2,2.854,34.14,0.202150786,-849.5132755,3.366,-0.20783,-0.07069,0.13714,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-207
1109,Steroid,C[C@@]12C(CCC2=O)C3CC=C4CCCC[C@]4(CO)C3CC1,5.1612,Inactive,288.47,1,4,1,2,3.344,37.3,0.195373,-891.3201749,2.7547,-0.22864,-0.01176,0.21688,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-208
1110,Steroid,C[C@]12C(C3CC=C4CCCC[C@@]4(C3CC2)CO)CC[C@@H]1O,4.2076,Inactive,290.49,1,4,2,2,3.384,40.46,0.194555784,-892.4986186,2.865,-0.22692,0.01911,0.24603,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-209
1111,Steroid,C[C@]12C(C3CC=C4CCCC[C@@]4(C3CC2)C=O)CCC1=O,5.0458,Inactive,286.45,1,4,0,2,3.601,34.14,0.204656213,-890.0197444,3.8941,-0.23073,-0.01846,0.21227,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-210
1112,Steroid,C[C@]12C(C3CC=C4CCCC[C@@]4(C3CC2)C)CCC1=O,5.8195,Inactive,272.47,0,4,0,1,4.435,17.07,0.199388917,-816.0147501,1.9103,-0.226,0.03068,0.25668,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-211
1113,Steroid,C[C@]12C(C3CC=C4CCCC[C@@]4(C3CC2)C)C[C@H](C1=O)Br,4.2596,Inactive,351.36,0,4,0,1,5.104,17.07,0.193347083,-3387.197187,3.8472,-0.2313,-0.05211,0.17919,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-212
1114,Steroid,C[C@@]12C(CCC2=O)C3C(C=C4CCCC[C@]4(C)C3CC1)=O,5.7447,Inactive,286.45,0,4,0,2,3.504,34.14,0.210938915,-890.1399533,3.5176,-0.23126,-0.04814,0.18312,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-213
1115,Steroid,C[C@@]12C(CCC2=O)C3C(C=C4C=CCC[C@]4(C)C3CC1)=O,5.7447,Inactive,284.43,0,4,0,2,3.06,34.14,0.210706556,-888.8996197,2.907,-0.23146,-0.06505,0.16641,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-214
1116,Steroid,C[C@]12C(C3C(C=C4C=CCC[C@@]4(C3CC2)C)=O)CC[C@@H]1O,4.3768,Inactive,286.45,0,4,1,2,3.099,37.3,0.20003517,-890.0141106,4.9585,-0.20159,-0.06375,0.13784,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-215
1117,Steroid,C[C@@]12C(CC[C@@H]2O)C3CC=C4CCCC[C@]4(C)C3CC1,4.5229,Inactive,274.49,0,4,1,1,4.475,20.23,0.18734682,-817.2518893,1.2801,-0.21917,0.02551,0.24468,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-216
1118,Steroid,C[C@@]12C(CCC2=O)C3CC=C4C=CCC[C@]4(C)C3CC1,5.5315,Inactive,270.45,0,4,0,1,3.991,17.07,0.190589848,-814.8739299,2.4099,-0.20702,-0.01384,0.19318,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-217
1119,Steroid,C[C@]12C(C3CC=C4C=CCC[C@@]4(C3CC2)C)CC[C@@H]1O,4.7447,Inactive,272.47,0,4,1,1,4.03,20.23,0.183294438,-815.9966508,1.0244,-0.17502,-0.04529,0.12973,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-218
1120,Steroid,C[C@@]12C(CCC2=O)C3CCC4=CC(CCC4C3CC1)=O,5.9208,Inactive,272.42,0,4,0,2,3.088,34.14,0.209324545,-850.825172,3.6052,-0.23218,-0.04586,0.18632,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-219
1121,Steroid,C[C@@]12C(CCC2=O)C3CCC4=CCCC[C@]4(C)C3CC1,5.0414,Inactive,272.47,0,4,0,1,4.435,17.07,0.1913,-816.1141173,2.7907,-0.22608,-0.01045,0.21563,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-220
1123,Steroid,C[C@@]12C(CCC2=O)C3CCC4=CC(CC[C@]4(CO)C3CC1)=O,5.3279,Inactive,302.45,1,4,1,3,2.203,54.37,0.215325063,-965.3343318,5.1164,-0.22483,-0.03942,0.18541,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-221
1124,Steroid,C[C@@]12C(CCC2=O)C3CC(C4=CC(CC[C@]4(C)C3CC1)=O)=O,5.6812,Inactive,300.43,0,4,0,3,2.152,51.21,0.222720609,-964.1411238,3.4313,-0.23934,-0.08746,0.15188,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-222
1125,Steroid,C[C@@]12C(CCC2=O)C3[C@H]4[C@H](C(F)4F)C5=CC(CC[C@]5(C)C3CC1)=O,5.9393,Inactive,334.44,0,5,0,4,2.611,34.14,0.229369563,-1126.658418,2.218,-0.23727,-0.05753,0.17974,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-223
1126,Steroid,C[C@@]12C(CCC2=O)C3[C@H]4[C@H](C4)C5=CCCC[C@]5(C)C3CC1,5.1761,Inactive,284.48,0,5,0,1,4.111,17.07,0.191611857,-854.1748297,2.6916,-0.21554,-0.0124,0.20314,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-224
1127,Steroid,C[C@@]12C(CC[C@]2(C)O)C3[C@H]4[C@H](C4)C5=CCCC[C@]5(C)C3CC1,5.5686,Inactive,300.53,0,5,1,1,4.356,20.23,0.194184833,-894.6781071,1.5124,-0.21291,0.02959,0.2425,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-225
1128,Steroid,C[C@@]12C(CC[C@]2(C)O)C3CCC4=CCCC[C@]4(C)C3CC1,5.1367,Inactive,288.52,0,4,1,1,4.68,20.23,0.197379792,-856.6208632,1.3875,-0.22419,0.03144,0.25563,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-226
1129,Steroid,C[C@@]12C(CC[C@]2(C)O)C3CCC4=CCCC[C@]4(CO)C3CC1,5.6383,Inactive,304.52,1,4,2,2,3.589,40.46,0.201272963,-931.821645,1.9131,-0.21882,0.03706,0.25588,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-227
1130,Steroid,C[C@@]12C(CCC2=O)C3CCC4=CCCC[C@]4(CC(OC)=O)C3CC1,5.3979,Inactive,330.51,3,4,0,3,3.839,43.37,0.210283389,-1043.982452,3.5416,-0.22877,-0.01284,0.21593,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-228
1132,Steroid,C[C@@]12C(C[C@@](Br)([H])C2=O)C3CCC4=CCCC[C@]4(C)C3CC1,5.2291,Inactive,351.36,0,4,0,1,5.104,17.07,0.190411146,-3387.217126,3.8221,-0.2301,-0.05218,0.17792,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-229
1133,Steroid,C[C@@]12C(CCC2=O)C3CCC4=CCCC[C@]4(C(F)(F)F)C3CC1,5.9208,Inactive,326.44,0,4,0,4,4.891,17.07,0.212632417,-1113.838682,2.9116,-0.23014,-0.01228,0.21786,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-230
1134,Steroid,C[C@@]12C(CCC2=O)C3C[C@@H](C)C4=CC(CC[C@]4(C)C3CC1)=O,5.8573,Inactive,300.48,0,4,0,2,3.546,34.14,0.20939158,-929.4419205,3.5102,-0.2318,-0.04788,0.18392,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-231
1135,Steroid,C[C@@]12C(CCC2=O)C3C[C@H](C)C4=CC(CC[C@]4(C)C3CC1)=O,5.5441,Inactive,300.48,0,4,0,2,3.546,34.14,0.20939158,-929.4419205,3.5102,-0.2318,-0.04788,0.18392,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-232
1136,Steroid,C[C@@]12C(CCC2=O)C3C[C@@H](CC)C4=CC(CC[C@]4(C)C3CC1)=O,5.1461,Inactive,314.51,1,4,0,2,4.002,34.14,0.207613717,-968.7543641,3.6305,-0.23128,-0.04732,0.18396,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-233
1137,Steroid,C[C@@]12C(CCC2=O)C3C[C@H](CC)C4=CC(CC[C@]4(C)C3CC1)=O,5.415,Inactive,314.51,1,4,0,2,4.002,34.14,0.207613717,-968.7543641,3.6305,-0.23128,-0.04732,0.18396,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-234
1138,Steroid,C[C@@]12C(CCC2=O)C3C[C@@H](CCC)C4=CC(CC[C@]4(C)C3CC1)=O,5.3802,Inactive,328.54,2,4,0,2,4.458,34.14,0.205638929,-1008.067979,3.6885,-0.231,-0.04692,0.18408,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-235
1139,Steroid,C[C@@]12C(CCC2=O)C3C[C@H](CCC)C4=CC(CC[C@]4(C)C3CC1)=O,5.5911,Inactive,328.54,2,4,0,2,4.458,34.14,0.205638929,-1008.067979,3.6885,-0.231,-0.04692,0.18408,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-236
1141,Steroid,C[C@@]12C(CCC2=O)C3C[C@H](CCCC)C4=CC(CC[C@]4(C)C3CC1)=O,5.8976,Inactive,342.57,3,4,0,2,4.914,34.14,0.203800983,-1047.381708,3.73,-0.23089,-0.0468,0.18409,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-237
1142,Steroid,C[C@@]12C(CCC2=O)C3C[C@@H](C(C)C)C4=CC(CC[C@]4(C)C3CC1)=O,5.9586,Inactive,328.54,1,4,0,2,4.254,34.14,0.206262482,-1008.065391,3.642,-0.23168,-0.04775,0.18393,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-238
1143,Steroid,C[C@@]12C(CCC2=O)C3C[C@H](C(C)C)C4=CC(CC[C@]4(C)C3CC1)=O,5.8539,Inactive,328.54,1,4,0,2,4.254,34.14,0.206262482,-1008.065391,3.642,-0.23168,-0.04775,0.18393,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-239
1144,Steroid,C[C@@]12C(CCC2=O)C3C[C@@H](C4=CC=CC=C4)C5=CC(CC[C@]5(C)C3CC1)=O,5.7696,Inactive,362.55,1,5,0,2,4.578,34.14,0.199224386,-1121.17505,3.6704,-0.23345,-0.05009,0.18336,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-240
1145,Steroid,C[C@@]12C(CCC2=O)C3C[C@H](C4=CC=CC=C4)C5=CC(CC[C@]5(C)C3CC1)=O,5.9586,Inactive,362.55,1,5,0,2,4.578,34.14,0.199224386,-1121.17505,3.6704,-0.23345,-0.05009,0.18336,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-241
1146,Steroid,C[C@@]12C(CCC2=O)C3C[C@@H](CC4=CC=CC=C4)C5=CC(CC[C@]5(C)C3CC1)=O,5.3979,Inactive,376.58,2,5,0,2,5.034,34.14,0.197458,-1160.49101,3.4937,-0.23237,-0.04979,0.18258,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-242
1147,Steroid,C[C@@]12C(CCC2=O)C3C[C@H](CC4=CC=CC=C4)C5=CC(CC[C@]5(C)C3CC1)=O,5.8195,Inactive,376.58,2,5,0,2,5.034,34.14,0.197458,-1160.49101,3.4937,-0.23237,-0.04979,0.18258,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-243
1148,Steroid,C[C@@]12C(CCC2=O)C3C[C@@H](C=C)C4=CC(CC[C@]4(C)C3CC1)=O,5.5051,Inactive,312.49,1,4,0,2,3.611,34.14,0.204767039,-967.5179111,3.4241,-0.23205,-0.05068,0.18137,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-244
1149,Steroid,C[C@@]12C(CCC2=O)C3C[C@@H](C#C)C4=CC(CC[C@]4(C)C3CC1)=O,5.7212,Inactive,310.47,0,4,0,2,4.187,34.14,0.222018388,-966.2651952,3.2285,-0.23529,-0.05312,0.18217,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-245
1150,Steroid,C[C@@]12C(CCC2=O)C3C/C(C4=CC(CC[C@]4(C)C3CC1)=O)=C\C,5.5911,Inactive,312.49,0,4,0,2,3.752,34.14,0.209572137,-967.5349116,4.0566,-0.22881,-0.0545,0.17431,Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors,J Comput Aided Mol Des. 1996;10(3):186-246
1151,Non-Steroid,NC(C=C1)=CC=C1/C=C/C2=CC(OC)=CC(OC)=C2,6.229147988,Active,255.34,4,2,2,3,3.037,44.48,0.231562861,-825.1095782,2.4043,-0.17925,-0.03558,0.14367,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-66
1152,Non-Steroid,NC(C=C1)=CC=C1/C=C/C2=C(OC)C=C(OC)C=C2,6.119186408,Active,255.34,4,2,2,3,3.037,44.48,0.223421056,-825.1085398,1.2046,-0.16828,-0.02742,0.14086,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-67
1153,Non-Steroid,NC1=CC(/C=C/C2=C(OC)C=C(OC)C=C2)=CC=C1,4.953114809,Inactive,255.34,4,2,2,3,3.037,44.48,0.223610333,-825.1079711,2.019,-0.17912,-0.03389,0.14523,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-68
1154,Non-Steroid,NC(C=C1)=CC=C1/C=C/C2=C(OC)C=CC(OC)=C2,5.739928612,Inactive,255.34,4,2,2,3,3.037,44.48,0.223175833,-825.1058633,2.2572,-0.17239,-0.03486,0.13753,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-69
1155,Non-Steroid,NC(C=C1)=CC=C1/C=C/C2=C(OC)C(OC)=CC=C2,6.008773924,Active,255.34,4,2,2,3,3.037,44.48,0.217540556,-825.1011201,2.2881,-0.17757,-0.03364,0.14393,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-70
1156,Non-Steroid,NC(C=C1)=CC=C1/C=C/C2=CC(OC)=C(OC)C=C2,4.838332588,Inactive,255.34,4,2,2,3,3.037,44.48,0.224165944,-825.1015018,1.9611,-0.17352,-0.03259,0.14093,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-71
1161,Non-Steroid,NC1=CC(/C=C/C2=CC(OC)=C(C(OC)=C2)OC)=CC=C1,4.784362437,Inactive,285.37,5,2,2,4,3.02,53.71,0.2337046,-939.6172756,2.8416,-0.18965,-0.04329,0.14636,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-72
1163,Non-Steroid,NC(C=C1)=CC=C1/C=C/C2=CC(OC)=C(OC)C(OC)=C2,6.045757491,Active,285.37,5,2,2,4,3.02,53.71,0.233605875,-939.6166677,1.7176,-0.17938,-0.03811,0.14127,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-73
1164,Non-Steroid,NC(C=C1)=CC=C1/C=C/C2=C(OC)C(OC)=C(OC)C=C2,5.447331784,Inactive,285.37,5,2,2,4,3.02,53.71,0.226043,-939.614823,2.0964,-0.17193,-0.02992,0.14201,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-74
1165,Non-Steroid,NC(C=C1)=CC=C1/C=C/C2=C(OC)C(OC)=CC(OC)=C2,5.642065153,Inactive,285.37,5,2,2,4,3.02,53.71,0.233489525,-939.6233558,1.8127,-0.17656,-0.03376,0.1428,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-75
1166,Non-Steroid,NC1=CC(/C=C/C2=CC3=C(COCO3)C=C2)=CC=C1,4.660349842,Inactive,253.32,2,3,2,3,2.658,44.48,0.213358441,-823.9109391,2.4172,-0.19373,-0.04659,0.14714,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-76
1167,Non-Steroid,NC(C=C1)=CC=C1/C=C/C2=CC3=C(COCO3)C=C2,5.07109231,Inactive,253.32,2,3,2,3,2.658,44.48,0.213630882,-823.912045,2.782,-0.18161,-0.04005,0.14156,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-77
1168,Non-Steroid,O=[N+](C1=CC=C(/C=C/C2=CC=CC([N+]([O-])=O)=C2)C=C1)[O-],5.079354999,Inactive,270.26,4,2,0,4,3.605,91.64,0.221241867,-949.712995,4.7756,-0.24134,-0.10541,0.13593,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-78
1170,Non-Steroid,NC(C=C1)=CC=C1/C=C/C2=CC(OC)=CC=C2,5.511449283,Inactive,225.31,3,2,2,2,3.053,35.25,0.213632375,-710.5866097,1.5901,-0.17983,-0.03588,0.14395,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-79
1179,Non-Steroid,NC(C=C1)=CC=C1CCC2=CC(OC)=CC(OC)=C2,5.559090918,Inactive,257.36,5,2,2,3,3.481,44.48,0.232136342,-826.3286749,1.9326,-0.19331,0.00845,0.20176,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-80
1180,Non-Steroid,NC(C=C1)=CC=C1CCC2=CC(OC)=C(OC)C=C2,6.173925197,Active,257.36,5,2,2,3,3.481,44.48,0.225570763,-826.3201953,2.7038,-0.19247,0.00851,0.20098,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-81
1181,Non-Steroid,NC(C=C1)=CC=C1CCC2=CC(OC)=C(OC)C(OC)=C2,5.554395797,Inactive,287.39,6,2,2,4,3.465,53.71,0.234001857,-940.8354134,2.3401,-0.19423,0.00419,0.19842,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-82
1182,Non-Steroid,NC1=CC=CC(CCC2=CC=C(N)C=C2)=C1,5.493494968,Inactive,212.32,3,2,4,2,2.768,52.04,0.2442685,-652.626932,2.0208,-0.18184,0.01302,0.19486,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-83
1183,Non-Steroid,NC1=CC=CC(/C=C/C2=CC=C(N)C=C2)=C1,5.126679398,Inactive,210.3,2,2,4,2,2.323,52.04,0.230988767,-651.4169496,3.0205,-0.17738,-0.03462,0.14276,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-84
1184,Non-Steroid,NC1=CC(N)=CC(/C=C/C2=CC=C(N)C=C2)=C1,5.07007044,Inactive,225.32,2,2,6,3,1.576,78.06,0.265182031,-706.7701218,1.3951,-0.17465,-0.03018,0.14447,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-85
1187,Non-Steroid,NC(C=C1)=CC=C1/C=C/C2=CC(OC(C)=O)=CC(OC(C)=O)=C2,5.53165267,Inactive,311.36,6,2,2,5,2.605,78.62,0.276235475,-1051.81725,3.0525,-0.18494,-0.04338,0.14156,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-86
1189,Non-Steroid,OC1=CC(O)=CC(/C=C/C2=CC=C(N)C=C2)=C1,5.301029996,Inactive,227.28,2,2,4,3,2.535,66.48,0.2649962,-746.4967064,4.9863,-0.18324,-0.04055,0.14269,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-87
1191,Non-Steroid,O=C(C1=CC=C(C=C1)[N+]([O-])=O)CN2C=CN=C2,6.721246399,Active,231.23,4,2,0,4,1.287,80.71,0.226310538,-814.3998955,3.5068,-0.23938,-0.11724,0.12214,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-88
1192,Non-Steroid,O=C(CN1C=CN=C1)C2=CC=C(N)C=C2,5.735182177,Inactive,201.25,3,2,2,3,0.646,60.91,0.234127077,-665.2608839,5.0956,-0.22096,-0.05544,0.16552,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-89
1193,Non-Steroid,O=[N+](C1=CC=C(/C(CN2C=CN=C2)=C/C3=CC(OC)=CC(OC)=C3)C=C1)[O-],7.15490196,Active,365.42,7,3,0,5,3.315,82.1,0.217611283,-1238.576224,8.9417,-0.22429,-0.09166,0.13263,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-90
1194,Non-Steroid,NC1=CC=C(/C(CN2C=CN=C2)=C/C3=CC(OC)=CC(OC)=C3)C=C1,7.443697499,Active,335.44,6,3,2,4,2.674,62.3,0.220496,-1089.428998,3.0046,-0.19462,-0.03257,0.16205,"Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer",Bioorg Med Chem. 2010;18(14):5352-91
1196,Non-Steroid,O=C1OC2=CC(OCC3=CC=CC(C)=C3)=CC=C2C(CN4C=CN=C4)=C1,6.943095149,Active,346.41,5,4,0,4,3.59,57.26,0.222290977,-1146.244777,9.2209,-0.22717,-0.06698,0.16019,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-25
1197,Non-Steroid,O=C1OC2=CC(OCC3=CC=CC(F)=C3)=CC=C2C(CN4C=CN=C4)=C1,6.946921557,Active,350.37,5,4,0,5,3.309,57.26,0.228122293,-1206.159502,7.3041,-0.22994,-0.0703,0.15964,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-26
1198,Non-Steroid,O=C1OC2=CC(OCC3=CC=CC(Cl)=C3)=CC=C2C(CN4C=CN=C4)=C1,6.886056648,Active,366.82,5,4,0,4,3.768,57.26,0.210447902,-1566.521948,6.8026,-0.23058,-0.07116,0.15942,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-27
1199,Non-Steroid,O=C1OC2=CC(OCC3=CC=CC(C(F)(F)F)=C3)=CC=C2C(CN4C=CN=C4)=C1,6.628932138,Active,400.38,5,4,0,7,4.046,57.26,0.231918932,-1443.963502,6.2668,-0.23105,-0.07184,0.15921,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-28
1200,Non-Steroid,O=C1OC2=CC(OCC3=CC=CC(OC(F)(F)F)=C3)=CC=C2C(CN4C=CN=C4)=C1,6.684029655,Active,416.38,6,4,0,8,5.224,66.49,0.250998178,-1519.181296,6.7497,-0.23065,-0.07128,0.15937,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-29
1201,Non-Steroid,O=C1OC2=CC(OCC3=CC=CC([N+]([O-])=O)=C3)=CC=C2C(CN4C=CN=C4)=C1,6.850780887,Active,377.38,6,4,0,6,2.998,103.08,0.234685395,-1311.426998,5.0522,-0.23325,-0.0982,0.13505,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-30
1202,Non-Steroid,O=C1OC2=CC(OCC3=CC=C(F)C=C3)=CC=C2C(CN4C=CN=C4)=C1,6.573488739,Active,350.37,5,4,0,5,3.309,57.26,0.228022512,-1206.159628,8.2206,-0.22884,-0.06888,0.15996,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-31
1203,Non-Steroid,O=C1OC2=CC(OCC3=CC=C(Cl)C=C3)=CC=C2C(CN4C=CN=C4)=C1,6.749579998,Active,366.82,5,4,0,4,3.768,57.26,0.210495683,-1566.521993,7.726,-0.23048,-0.07094,0.15954,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-32
1204,Non-Steroid,O=C1OC2=CC(OCC3=CC=C(OC)C=C3)=CC=C2C(CN4C=CN=C4)=C1,6.896196279,Active,362.41,6,4,0,5,3.087,66.49,0.226493044,-1221.44997,9.769,-0.22551,-0.06527,0.16024,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-33
1205,Non-Steroid,O=C1OC2=CC(OCC3=CC=C(C=C3)OC(F)(F)F)=CC=C2C(CN4C=CN=C4)=C1,6.317854924,Active,416.38,6,4,0,8,5.224,66.49,0.251120644,-1519.181315,8.1065,-0.2296,-0.06979,0.15981,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-34
1207,Non-Steroid,O=C1OC2=CC(OCC3=CC=C(F)C(F)=C3)=CC=C2C(CN4C=CN=C4)=C1,6.782516056,Active,368.36,5,4,0,6,3.515,57.26,0.235336268,-1305.385299,6.7162,-0.23114,-0.07186,0.15928,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-35
1209,Non-Steroid,O=C1OC2=CC(OC3=CC=CC(F)=C3)=CC=C2C(CN4C=CN=C4)=C1,7.142667504,Active,336.34,4,4,0,5,3.302,57.26,0.241288421,-1166.847634,6.8817,-0.23161,-0.0741,0.15751,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-36
1210,Non-Steroid,O=C1OC2=CC(OC3=CC=CC(Cl)=C3)=CC=C2C(CN4C=CN=C4)=C1,7.142667504,Active,352.79,4,4,0,4,3.761,57.26,0.221982105,-1527.209821,6.4823,-0.23251,-0.07519,0.15732,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-37
1211,Non-Steroid,O=C1OC2=CC(OC3=CC=CC(OC)=C3)=CC=C2C(CN4C=CN=C4)=C1,6.534617149,Active,348.38,5,4,0,5,3.08,66.49,0.238547024,-1182.138094,9.7673,-0.22597,-0.06866,0.15731,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-38
1212,Non-Steroid,O=C1OC2=CC(OC3=CC=C(C)C=C3)=CC=C2C(CN4C=CN=C4)=C1,6.161150909,Active,332.38,4,4,0,4,3.583,57.26,0.233571659,-1106.933216,8.996,-0.22774,-0.06849,0.15925,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-39
1213,Non-Steroid,O=C1OC2=CC(OC3=CC=C(Cl)C=C3)=CC=C2C(CN4C=CN=C4)=C1,6.950781977,Active,352.79,4,4,0,4,3.761,57.26,0.222162132,-1527.209723,6.2118,-0.2321,-0.07492,0.15718,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-40
1214,Non-Steroid,O=C1OC2=CC(OC3=CC=C(C#N)C=C3)=CC=C2C(CN4C=CN=C4)=C1,6.785156152,Active,343.36,4,4,0,5,2.976,81.05,0.237783333,-1159.857322,4.0419,-0.23671,-0.08279,0.15392,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-41
1215,Non-Steroid,O=C1OC2=CC(OC3=CC=C(C(C)=O)C=C3)=CC=C2C(CN4C=CN=C4)=C1,6.528708289,Active,360.39,5,4,0,5,2.837,74.33,0.243596814,-1220.262206,4.9895,-0.23397,-0.07852,0.15545,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-42
1216,Non-Steroid,O=C1OC2=CC(OC3=CC=C(N(C)C)C=C3)=CC=C2C(CN4C=CN=C4)=C1,7.091514981,Active,361.43,5,4,0,5,3.259,60.5,0.235568261,-1201.582267,11.3036,-0.20115,-0.0638,0.13735,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-43
1217,Non-Steroid,O=C1OC2=CC(OC3=CC(F)=CC(F)=C3)=CC=C2C(CN4C=CN=C4)=C1,7.15490196,Active,354.33,4,4,0,6,3.508,57.26,0.257886237,-1266.079182,6.2268,-0.23384,-0.07762,0.15622,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-44
1218,Non-Steroid,O=C1OC2=CC(OC3=CC=C(F)C(F)=C3)=CC=C2C(CN4C=CN=C4)=C1,7.327902142,Active,354.33,4,4,0,6,3.508,57.26,0.248865316,-1266.072262,5.7046,-0.23274,-0.07544,0.1573,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-45
1219,Non-Steroid,O=C1OC2=CC(NC3=CC=CC=C3)=CC=C2C(CN4C=CN=C4)=C1,6.978810701,Active,317.37,4,4,1,4,3.087,60.06,0.235173641,-1047.756826,8.4656,-0.20731,-0.0658,0.14151,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-46
1220,Non-Steroid,O=C1OC2=CC(O)=CC=C2C(CN3C=CN=C3)=C1,5.425968732,Inactive,242.25,2,3,1,4,1.269,68.26,0.257976,-836.5678052,8.2647,-0.23003,-0.06939,0.16064,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-47
1222,Non-Steroid,O=C1OC2=CC(OC)=CC=C2C([C@@H](N3C=CN=C3)C4=CC=CC=C4)=C1,6.341988603,Active,332.38,4,4,0,4,3.132,57.26,0.213995268,-1106.921067,9.3461,-0.22391,-0.06716,0.15675,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-48
1223,Non-Steroid,O=C1OC2=CC(OC3=CC=CC=C3)=CC=C2C([C@@H](N4C=CN=C4)C5=CC=CC=C5)=C1,7.173925197,Active,394.45,5,5,0,4,4.709,57.26,0.205839771,-1298.66187,9.1283,-0.22468,-0.06913,0.15555,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-49
1224,Non-Steroid,O=C1OC2=CC(OC3=CC=C(F)C(F)=C3)=CC=C2C([C@@H](N4C=CN=C4)C5=CC=CC=C5)=C1,6.498940738,Active,430.43,5,5,0,6,5.12,57.26,0.224686604,-1497.119033,6.5823,-0.22808,-0.07465,0.15343,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-50
1225,Non-Steroid,O=C1OC2=CC(OC3=CC=CC=C3)=CC=C2C([C@@H](N4C=CN=C4)C5=CC=C(Cl)C=C5)=C1,6.274088368,Active,428.89,5,5,0,4,5.373,57.26,0.2030165,-1758.256701,8.385,-0.22862,-0.07298,0.15564,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-51
1226,Non-Steroid,O=C1OC2=CC(OC3=CC=CC=C3)=CC=C2C([C@@H](N4C=CN=C4)C5=CC=C(C#N)C=C5)=C1,5.396855627,Inactive,419.46,5,5,0,5,4.588,81.05,0.215957551,-1390.902514,7.9803,-0.23373,-0.07918,0.15455,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-52
1227,Non-Steroid,O=C1OC2=CC(OC)=CC=C2C=C1CN3C=NC=C3,5.549750892,Inactive,256.28,3,3,0,4,1.52,57.26,0.233668548,-875.8779376,9.4632,-0.21483,-0.07232,0.14251,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-53
1228,Non-Steroid,O=C1OC2=CC(OC3=CC=CC=C3)=CC=C2C=C1[C@@H](C4=CC=CC=C4)N5C=NC=C5,6.504455662,Active,394.45,5,5,0,4,4.709,57.26,0.200457354,-1298.665821,9.1828,-0.21804,-0.07216,0.14588,"Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase",J Med Chem. 2011;54(6):1613-54
1229,Non-Steroid,O=C1C2=C(C(C=CC=C3)=C3C=C2)OC(C4=CC=CC=C4)C1,5.366531544,Inactive,274.33,1,4,0,2,4.008,26.3,0.180968314,-882.9169512,2.9939,-0.21024,-0.0589,0.15134,Lead optimization of 4-imidazolylflavans: new promising aromatase inhibitors,Eur J Med Chem. 2011;46(6):2541-5
1230,Non-Steroid,O=C1C2=C(C(C=CC=C3)=C3C=C2)OC(C4=CC=C(C#N)C=C4)C1,5.812479279,Inactive,299.34,1,4,0,3,3.887,50.09,0.195384611,-975.1589994,5.3856,-0.22148,-0.0693,0.15218,Lead optimization of 4-imidazolylflavans: new promising aromatase inhibitors,Eur J Med Chem. 2011;46(6):2541-6
1231,Non-Steroid,O=C1C2=C(C(C=CC=C3)=C3C=C2)OC(C4=CC=C(O)C=C4)C1,6.200659451,Active,290.33,1,4,1,3,3.741,46.53,0.210783278,-958.133909,1.9374,-0.20912,-0.05787,0.15125,Lead optimization of 4-imidazolylflavans: new promising aromatase inhibitors,Eur J Med Chem. 2011;46(6):2541-7
1232,Non-Steroid,C1(C(C=CC=C2)=C2C=C3)=C3[C@H](N4C=CN=C4)C[C@@H](C5=CC=CC=C5)O1,7.443697499,Active,326.42,2,5,0,2,3.921,27.05,0.165286209,-1033.910911,4.1771,-0.2057,-0.03658,0.16912,Lead optimization of 4-imidazolylflavans: new promising aromatase inhibitors,Eur J Med Chem. 2011;46(6):2541-8
1233,Non-Steroid,N#CC1=CC=C(C2CC(N3C=CN=C3)C4=C(C(C=CC=C5)=C5C=C4)O2)C=C1,7.107905397,Active,351.43,2,5,0,3,3.799,50.84,0.178056886,-1126.153311,2.7446,-0.21476,-0.06116,0.1536,Lead optimization of 4-imidazolylflavans: new promising aromatase inhibitors,Eur J Med Chem. 2011;46(6):2541-9
1234,Non-Steroid,OC1=CC=C(C2CC(N3C=CN=C3)C4=C(C(C=CC=C5)=C5C=C4)O2)C=C1,7.494850022,Active,342.42,2,5,1,3,3.653,47.28,0.189898432,-1109.127215,4.7422,-0.20557,-0.03658,0.16899,Lead optimization of 4-imidazolylflavans: new promising aromatase inhibitors,Eur J Med Chem. 2011;46(6):2541-10
1235,Non-Steroid,O=C1C2=C(O)C=C(O)C(C(N3CCSCC3)C=O)=C2OC(C4=CC=CC=C4)=C1,5.229147988,Inactive,397.48,4,4,2,6,2.853,116.28,0.239243191,-1640.691904,3.5131,-0.21954,-0.0652,0.15434,Facile synthesis of chrysin-derivatives with promising activities as aromatase inhibitors,Nat Prod Commun. 2011;6(1):31-4
1236,Non-Steroid,O=C1C2=C(O)C=C(O)C(C(N3CCNCC3)C=O)=C2OC(C4=CC=CC=C4)=C1,4.156829535,Inactive,380.43,4,4,3,7,1.842,103.01,0.237920771,-1297.848104,4.8882,-0.21862,-0.05437,0.16425,Facile synthesis of chrysin-derivatives with promising activities as aromatase inhibitors,Nat Prod Commun. 2011;6(1):31-5
1237,Non-Steroid,O=C1C2=C(O)C=C(O)C(C(N3CCOCC3)COC(C=O)=O)=C2OC(C4=CC=CC=C4)=C1,3.748678188,Inactive,439.45,7,4,2,9,2.029,126.51,0.236948132,-1545.580415,5.8245,-0.22453,-0.09321,0.13132,Facile synthesis of chrysin-derivatives with promising activities as aromatase inhibitors,Nat Prod Commun. 2011;6(1):31-6
1238,Non-Steroid,O=C1C2=C(O)C=C(O)C(C(N3CCOCC3)OC4=CC=C(C=O)C=C4)=C2OC(C5=CC=CC=C5)=C1,4.806041022,Inactive,473.51,6,5,2,8,3.954,109.44,0.225861414,-1623.997479,5.0009,-0.22614,-0.06279,0.16335,Facile synthesis of chrysin-derivatives with promising activities as aromatase inhibitors,Nat Prod Commun. 2011;6(1):31-7
1239,Non-Steroid,O=C1C2=C(O)C(C(OC3=CC=C(C=O)C=C3)N4CCOCC4)=C(O)C=C2OC(C5=CC=CC=C5)=C1,3.688542832,Inactive,473.51,6,5,2,8,3.954,109.44,0.222952293,-1623.976691,7.9943,-0.21496,-0.06431,0.15065,Facile synthesis of chrysin-derivatives with promising activities as aromatase inhibitors,Nat Prod Commun. 2011;6(1):31-8
1246,Non-Steroid,O=C(OCC)C1C2=C3C(C(C=C(C4=CC=CC=C4)O3)=O)=C(O)C=C2OC(NC5CCCCC5)=C1C(OCC)=O,3.778298936,Inactive,533.62,9,5,2,9,4.992,124.3,0.250006829,-1818.415805,5.5201,-0.2164,-0.05863,0.15777,Facile synthesis of chrysin-derivatives with promising activities as aromatase inhibitors,Nat Prod Commun. 2011;6(1):31-9
1247,Non-Steroid,O=C(OC)C1C2=C3C(C(C=C(C4=CC=CC=C4)O3)=O)=C(O)C=C2OC(NC(C)C)=C1C(OC)=O,3.727137724,Inactive,465.49,7,4,2,9,3.162,124.3,0.271143211,-1623.039777,5.3926,-0.2189,-0.0597,0.1592,Facile synthesis of chrysin-derivatives with promising activities as aromatase inhibitors,Nat Prod Commun. 2011;6(1):31-10
1248,Non-Steroid,O=C(OCC)C1C2=C3C(C(C=C(C4=CC=CC=C4)O3)=O)=C(O)C=C2OC(NC(C)C)=C1C(OCC)=O,4.100124804,Inactive,493.55,9,4,2,9,3.86,124.3,0.263798587,-1701.678482,5.1927,-0.21756,-0.05918,0.15838,Facile synthesis of chrysin-derivatives with promising activities as aromatase inhibitors,Nat Prod Commun. 2011;6(1):31-11
1254,Non-Steroid,O=C(OC)C1C2=C3C(C(C=C(C4=CC=CC=C4)O3)=O)=C(O)C=C2OC(NCCCC)=C1C(OC)=O,4.57921938,Inactive,479.52,9,4,2,9,3.764,124.3,0.265179967,-1662.348244,5.9757,-0.21838,-0.05881,0.15957,Facile synthesis of chrysin-derivatives with promising activities as aromatase inhibitors,Nat Prod Commun. 2011;6(1):31-12
1255,Non-Steroid,O=C(OCC)C1C2=C3C(C(C=C(C4=CC=CC=C4)O3)=O)=C(O)C=C2OC(NCCCC)=C1C(OCC)=O,4.437826137,Inactive,507.58,11,4,2,9,4.462,124.3,0.258692712,-1740.986905,5.8278,-0.21691,-0.05831,0.1586,Facile synthesis of chrysin-derivatives with promising activities as aromatase inhibitors,Nat Prod Commun. 2011;6(1):31-13
1257,Non-Steroid,OC(C=C1)=C(O)C=C1C2=C(O)C(C3=C(O)C=C(O)C=C3O2)=O,3.977777895,Inactive,302.25,1,3,5,7,1.504,131.36,0.343850906,-1104.156156,2.4209,-0.19425,-0.05647,0.13778,Facile synthesis of chrysin-derivatives with promising activities as aromatase inhibitors,Nat Prod Commun. 2011;6(1):31-14
1259,Non-Steroid,OC1=CC(O)=C(C(C=C(C2=CC=CC=C2)O3)=O)C3=C1,4.93930216,Inactive,254.25,1,3,2,4,2.602,70.67,0.269487828,-878.5211417,6.276,-0.22207,-0.06996,0.15211,Facile synthesis of chrysin-derivatives with promising activities as aromatase inhibitors,Nat Prod Commun. 2011;6(1):31-15
1260,Steroid,O=C1C=C[C@@]2(C)C(C(CC3C2CC[C@@]4(C)C3CCC4=O)=C)=C1,6.81276138,Active,296.44,0,4,0,2,3.326,34.14,0.206244217,-926.998094,3.286,-0.235,-0.06259,0.17241,Synthesis of some novel androstanes as potential aromatase inhibitors,Steroids. 2011;76(5):464-70
1261,Steroid,OC1CCC2C3CCC4C(C5=C(C=NN5)C[C@]4(C)C3CC[C@@]21C)=O,6.290730039,Active,328.5,0,5,2,3,3.285,65.98,0.209764096,-1038.924121,2.3725,-0.24814,-0.05154,0.1966,Synthesis of some novel androstanes as potential aromatase inhibitors,Steroids. 2011;76(5):464-71
1262,Steroid,O[C@H]1CCC2C3CCC4C(C(O)=C(C#N)C[C@]4(C)C3CC[C@@]21C)=O,5.991825816,Inactive,329.48,0,4,2,4,2.625,81.32,0.221885686,-1058.770851,3.0998,-0.25342,-0.08363,0.16979,Synthesis of some novel androstanes as potential aromatase inhibitors,Steroids. 2011;76(5):464-72
1269,Non-Steroid,O=C(C1=CC=CC=C1C/2)C2=C\C3=CC=C(OCCCN4C=NC=C4)C(OC)=C3,6.259637311,Active,374.47,7,4,0,4,3.578,53.35,0.20291556,-1224.841489,4.0808,-0.21869,-0.07847,0.14022,Synthesis of some imidazolyl-substituted 2-benzylidene indanone derivatives as potent aromatase inhibitors for breast cancer therapy,Med Chem Res. 2011;20(6):661-669
1270,Non-Steroid,O=C(C1=CC=CC=C1C/2)C2=C\C3=CC=C(OC)C(OCCCN4C=NC=C4)=C3,5.872895202,Inactive,374.47,7,4,0,4,3.578,53.35,0.20261586,-1224.839741,2.477,-0.21991,-0.07815,0.14176,Synthesis of some imidazolyl-substituted 2-benzylidene indanone derivatives as potent aromatase inhibitors for breast cancer therapy,Med Chem Res. 2011;20(6):661-669
1271,Non-Steroid,O=C(C1=CC=CC=C1C/2)C2=C\C3=CC=CC=C3OCCCN4C=NC=C4,5.958607315,Inactive,344.44,6,4,0,3,3.594,44.12,0.187236587,-1110.31709,4.1639,-0.22167,-0.07648,0.14519,Synthesis of some imidazolyl-substituted 2-benzylidene indanone derivatives as potent aromatase inhibitors for breast cancer therapy,Med Chem Res. 2011;20(6):661-669