小分子和化合物库
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米非司酮CAS号 : 84371-65-3 Compound CID : 55245分子式: C29H35NO2 分子量: 429.59IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-oneSMILES: CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)OInChIKey: VKHAHZOOUSRJNA-GCNJZUOMSA-NInChI: InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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Ostarine,雄激素受体调节剂CAS号 : 841205-47-8 Compound CID : 11326715分子式: C19H14F3N3O3 分子量: 389.33IUPAC Name: (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamideSMILES: CC(COC1=CC=C(C=C1)C#N)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)OInChIKey: JNGVJMBLXIUVRD-SFHVURJKSA-NInChI: InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1
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比卡鲁胺CAS号 : 90357-06-5 Compound CID : 2375分子式: C18H14F4N2O4S 分子量: 430.37IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamideSMILES: CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)OInChIKey: LKJPYSCBVHEWIU-UHFFFAOYSA-NInChI: InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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SC-560,COX-1抑制剂CAS号 : 188817-13-2 Compound CID : 4306515分子式: C17H12ON2ClF3 分子量: 352.74IUPAC Name: 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazoleSMILES: COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)ClInChIKey: PQUGCKBLVKJMNT-UHFFFAOYSA-NInChI: InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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利克飞龙CAS号 : 156897-06-2 Compound CID : 133021分子式: C23H22ClNO2 分子量: 379.88IUPAC Name: 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acidSMILES: CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)CInChIKey: UAWXGRJVZSAUSZ-UHFFFAOYSA-NInChI: InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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莫非佐酸CAS号 : 78967-07-4 Compound CID : 4237分子式: C19H17NO5 分子量: 339.35IUPAC Name: 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acidSMILES: COC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CC(=O)OInChIKey: DJEIHHYCDCTAAH-UHFFFAOYSA-NInChI: InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
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(R)-比卡鲁胺CAS号 : 113299-40-4 Compound CID : 56069分子式: C18H14F4N2O4S 分子量: 430.37IUPAC Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamideSMILES: CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)OInChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-NInChI: InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1
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RU58841CAS号 : 154992-24-2 Compound CID : 132981分子式: C17H18F3N3O3 分子量: 369.34IUPAC Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrileSMILES: CC1(C(=O)N(C(=O)N1CCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)CInChIKey: ARBYGDBJECGMGA-UHFFFAOYSA-NInChI: InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
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