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阿比特龙CAS号: 154229-19-3分子式: C24H31NO 分子量: 349.52IUPAC Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C)OInChIKey: GZOSMCIZMLWJML-VJLLXTKPSA-NInChI: 1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1
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Galeterone,CYP17抑制剂CAS号: 851983-85-2 Compound CID : 11188409分子式: C26H32N2O 分子量: 388.56IUPAC Name: (3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC12CCC(CC1=CCC3C2CCC4(C3CC=C4N5C=NC6=CC=CC=C65)C)OInChIKey: PAFKTGFSEFKSQG-PAASFTFBSA-NInChI: 1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
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(2S,4S)-ketoconazoleCAS号: 79156-75-5 Compound CID : 638701IUPAC Name: 1-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanoneSMILES: Clc1ccc(c(c1)Cl)[C@@]1(OC[C@@H](O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1InChIKey: XMAYWYJOQHXEEK-JYFHCDHNSA-NInChI: 1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m0/s1
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D4-abirateroneCAS号: 154229-21-7 Compound CID : 196941分子式: C24H29NO 分子量: 347.49IUPAC Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneSMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)CInChIKey: GYJZZAJJENTSTP-NHFPKVKZSA-NInChI: 1S/C24H29NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19-,21-,22-,23-,24+/m0/s1
