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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GSK429286A(DMSO溶液)CAS号 : 864082-47-3 Compound CID : 11373846分子式: C21H16F4N4O2 分子量: 432.37IUPAC Name: N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamideSMILES: CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)FInChIKey: OLIIUAHHAZEXEX-UHFFFAOYSA-NInChI: InChI=1S/C21H16F4N4O2/c1-10-19(20(31)28-17-6-12-9-26-29-16(12)8-15(17)22)14(7-18(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-6,8-9,14H,7H2,1H3,(H,26,29)(H,27,30)(H,28,31)
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LJI308,RSK抑制剂CAS号 : 1627709-94-7 Compound CID : 118704762分子式: C21H18F2N2O2 分子量: 368.38IUPAC Name: 2,6-difluoro-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenolSMILES: C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)FInChIKey: YUYJEQHNWKQNBT-UHFFFAOYSA-NInChI: InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2
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BI-D1870CAS号 : 501437-28-1(DMSO)分子式: C19H23F2N5O2 分子量: 391.42SMILES: CC(C)CCN1C(C)C(=O)N(C)C2=C1N=C(NC3=CC(=C(O)C(=C3)F)F)N=C2
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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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GSK1838705ACAS号 : 1116235-97-2(DMSO)分子式: C27H29FN8O3 分子量: 532.57SMILES: CNC(=O)C1=C(F)C=CC=C1NC2=C3C=C[NH]C3=NC(=N2)NC4=C(OC)C=C5CCN(C(=O)CN(C)C)C5=C4
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GSK429286ACAS号 : 864082-47-3(DMSO)分子式: C21H16F4N4O2 分子量: 432.37SMILES: CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(F)C=C4[NH]N=CC4=C3
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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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LJH685CAS号 : 1627710-50-2 Compound CID : 73010393分子式: C22H21F2N3O 分子量: 381.42IUPAC Name: 2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenolSMILES: CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)FInChIKey: IKUFKDGKRLMXEX-UHFFFAOYSA-NInChI: InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3
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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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