小分子和化合物库
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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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Silmitasertib (CX-4945)CAS号 : 1009820-21-6(DMSO)分子式: C19H12ClN3O2 分子量: 349.77SMILES: OC(=O)C1=CC2=C(C=C1)C3=CN=CC=C3C(=N2)NC4=CC(=CC=C4)Cl
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SGI-1776 free baseCAS号 : 1025065-69-3(DMSO)分子式: C20H22F3N5O 分子量: 405.42SMILES: CN1CCC(CC1)CNC2=N[N]3C(=NC=C3C4=CC=CC(=C4)OC(F)(F)F)C=C2
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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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胍那苄分子式: C8H8Cl2N4 分子量: 231.08IUPAC Name: 2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidineSMILES: C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)ClInChIKey: WDZVGELJXXEGPV-YIXHJXPBSA-NInChI: InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
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AZD1208CAS号 : 1204144-28-4 Compound CID : 58423153分子式: C21H21N3O2S 分子量: 379.48IUPAC Name: (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dioneSMILES: C1CC(CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)C=C4C(=O)NC(=O)S4)NInChIKey: MCUJKPPARUPFJM-UWCCDQBKSA-NInChI: InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1
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双辛基马来酰亚胺 IVCAS号 : 119139-23-0 Compound CID : 2399分子式: C20H13N3O2 分子量: 327.34IUPAC Name: 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dioneSMILES: C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54InChIKey: DQYBRTASHMYDJG-UHFFFAOYSA-NInChI: InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
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胍那苄分子式: C8H8Cl2N4 分子量: 231.08IUPAC Name: 2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidineSMILES: C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)ClInChIKey: WDZVGELJXXEGPV-YIXHJXPBSA-NInChI: InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
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2-(4,5-dihydro-1H-imidazol-2-yl)quinolineCompound CID : 2457分子式: C12H11N3 分子量: 197.24IUPAC Name: 2-(4,5-dihydro-1H-imidazol-2-yl)quinolineSMILES: C1CN=C(N1)C2=NC3=CC=CC=C3C=C2InChIKey: OSUVWJGCKQEMHK-UHFFFAOYSA-NInChI: InChI=1S/C12H11N3/c1-2-4-10-9(3-1)5-6-11(15-10)12-13-7-8-14-12/h1-6H,7-8H2,(H,13,14)
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2-(3-methylphenyl)-4,5-dihydro-1H-imidazoleCAS号 : 27423-82-1 Compound CID : 3746427分子式: C10H12N2 分子量: 160.22IUPAC Name: 2-(3-methylphenyl)-4,5-dihydro-1H-imidazoleSMILES: CC1=CC(=CC=C1)C2=NCCN2InChIKey: FAZYMPYKTJYGNR-UHFFFAOYSA-NInChI: InChI=1S/C10H12N2/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-4,7H,5-6H2,1H3,(H,11,12)
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2-(4-Methoxyphenyl)-4,5-dihydro-1H-imidazole分子式: C10H12N2O 分子量: 176.21IUPAC Name: 2-(4-methoxyphenyl)-4,5-dihydro-1H-imidazoleSMILES: COC1=CC=C(C=C1)C2=NCCN2InChIKey: LPRQSQCAHSRGRZ-UHFFFAOYSA-NInChI: InChI=1S/C10H12N2O/c1-13-9-4-2-8(3-5-9)10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H,11,12)
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