小分子和化合物库
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尼群地平CAS号 : 39562-70-4 Compound CID : 4507分子式: C18H20N2O6 分子量: 360.36IUPAC Name: 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateSMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CInChIKey: PVHUJELLJLJGLN-UHFFFAOYSA-NInChI: InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
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SMI-4a,ATP竞争性Pim激酶抑制剂CAS号 : 438190-29-5 Compound CID : 1361334分子式: C11H6F3NO2S 分子量: 273.23IUPAC Name: (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dioneSMILES: C1=CC(=CC(=C1)C(F)(F)F)C=C2C(=O)NC(=O)S2InChIKey: NGJLOFCOEOHFKQ-YVMONPNESA-NInChI: InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
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Tryprostatin A,抑制剂CAS号 : 171864-80-5 Compound CID : 9929833分子式: C22H27N3O3 分子量: 381.47IUPAC Name: (3S,8aS)-3-[[6-methoxy-2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dioneSMILES: CC(=CCC1=C(C2=C(N1)C=C(C=C2)OC)CC3C(=O)N4CCCC4C(=O)N3)CInChIKey: XNRPVPHNDQHWLJ-PMACEKPBSA-NInChI: InChI=1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1
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TriapineCAS号 : 200933-27-3 Compound CID : 9571836分子式: C7H9N5S 分子量: 195.24IUPAC Name: [(E)-(3-aminopyridin-2-yl)methylideneamino]thioureaSMILES: C1=CC(=C(N=C1)C=NNC(=S)N)NInChIKey: XMYKNCNAZKMVQN-NYYWCZLTSA-NInChI: InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+
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AG-1024CAS号 : 65678-07-1(DMSO)分子式: C14H13BrN2O 分子量: 305.17SMILES: CC(C)(C)C1=C(O)C(=CC(=C1)C=C(C#N)C#N)Br
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Pioglitazone (AD-4833)CAS号 : 111025-46-8(DMSO)分子式: C19H20N2O3S 分子量: 356.44SMILES: CCC1=CC=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C1
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SMI-4aCAS号 : 438190-29-5(DMSO)分子式: C11H6F3NO2S 分子量: 273.23SMILES: FC(F)(F)C1=CC(=CC=C1)\C=C2/SC(=O)NC2=O
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依拉地平CAS号 : 75695-93-1(DMSO)分子式: C19H21N3O5 分子量: 371.39SMILES: COC(=O)C1=C(C)NC(=C(C1C2=CC=CC3=NON=C23)C(=O)OC(C)C)C
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克霉唑CAS号 : 23593-75-1(DMSO)分子式: C22H17ClN2 分子量: 344.84SMILES: ClC1=C(C=CC=C1)C([N]2C=CN=C2)(C3=CC=CC=C3)C4=CC=CC=C4
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姜黄素CAS号 : 458-37-7(DMSO)分子式: C21H20O6 分子量: 368.38SMILES: COC1=CC(=CC=C1O)/C=C/C(O)=C/C(=O)/C=C/C2=CC(=C(O)C=C2)OC
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尼索地平CAS号 : 63675-72-9(DMSO)分子式: C20H24N2O6 分子量: 388.41SMILES: COC(=O)C1=C(C)NC(=C(C1C2=CC=CC=C2[N+]([O-])=O)C(=O)OCC(C)C)C
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