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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GS-9620,Toll-Like Receptor-7(TLR-7)激动剂CAS号 : 1228585-88-3 Compound CID : 46241268分子式: C22H30N6O2 分子量: 410.51IUPAC Name: 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-oneSMILES: CCCCOC1=NC(=C2C(=N1)N(CC(=O)N2)CC3=CC=CC(=C3)CN4CCCC4)NInChIKey: VFOKSTCIRGDTBR-UHFFFAOYSA-NInChI: InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)
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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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SM 324405,TLR7激动剂CAS号 : 677773-91-0 Compound CID : 23079483分子式: C19H23N5O4 分子量: 385.42IUPAC Name: methyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetateSMILES: CCCCOC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=CC(=C3)CC(=O)OC)NInChIKey: MXILFZWMVNDOIZ-UHFFFAOYSA-NInChI: InChI=1S/C19H23N5O4/c1-3-4-8-28-18-22-16(20)15-17(23-18)24(19(26)21-15)11-13-7-5-6-12(9-13)10-14(25)27-2/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,21,26)(H2,20,22,23)
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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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类似Toll的受体7配体IICAS号 : 226907-52-4 Compound CID : 10018576分子式: C15H17N5O3 分子量: 315.33IUPAC Name: 6-amino-9-benzyl-2-(2-methoxyethoxy)-7H-purin-8-oneSMILES: COCCOC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=CC=C3)NInChIKey: YYCDGEZXHXHLGW-UHFFFAOYSA-NInChI: InChI=1S/C15H17N5O3/c1-22-7-8-23-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19)
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Apalutamide (ARN-509)CAS号 : 956104-40-8(DMSO)分子式: C21H15F4N5O2S 分子量: 477.43SMILES: CNC(=O)C1=CC=C(C=C1F)N2C(=S)N(C(=O)C23CCC3)C4=CN=C(C#N)C(=C4)C(F)(F)F
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AndarineCAS号 : 401900-40-1(DMSO)分子式: C19H18F3N3O6 分子量: 441.36SMILES: CC(=O)NC1=CC=C(OCC(C)(O)C(=O)NC2=CC=C(C(=C2)C(F)(F)F)[N+]([O-])=O)C=C1
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GaleteroneCAS号 : 851983-85-2(DMSO)分子式: C26H32N2O 分子量: 388.55SMILES: CC12CCC(O)CC1=CCC3C2CCC4(C)C3CC=C4[N]5C=NC6=C5C=CC=C6
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Ostarine (GTx-024)CAS号 : 841205-47-8(DMSO)分子式: C19H14F3N3O3 分子量: 389.33SMILES: CC(O)(COC1=CC=C(C=C1)C#N)C(=O)NC2=CC=C(C#N)C(=C2)C(F)(F)F
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