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异柠檬酸脱氢酶 (IDH)
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GSK321CAS号: 1816331-63-1 Compound CID : 91864709分子式: C28H28FN5O3 分子量: 501.55IUPAC Name: (7R)-1-[(4-fluorophenyl)methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamideSMILES: CC1CN(CC2=C1N(N=C2C(=O)NC3=CC=CC(=C3)C(C)O)CC4=CC=C(C=C4)F)C(=O)C5=CC=CN5InChIKey: IVFDDVKCCBDPQZ-MSOLQXFVSA-NInChI: 1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/m1/s1
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GSK864CAS号: 1816331-66-4 Compound CID : 91864701分子式: C30H31FN6O4 分子量: 558.6IUPAC Name: (7S)-1-[(4-fluorophenyl)methyl]-3-N-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,6-dihydropyrazolo[4,3-c]pyridine-3,7-dicarboxamideSMILES: CC1=CC(=CC(=C1OC)C)NC(=O)C2=NN(C3=C2CN(CC3(C)C(=O)N)C(=O)C4=CC=CN4)CC5=CC=C(C=C5)FInChIKey: DUCNNEYLFOQFSW-PMERELPUSA-NInChI: 1S/C30H31FN6O4/c1-17-12-21(13-18(2)25(17)41-4)34-27(38)24-22-15-36(28(39)23-6-5-11-33-23)16-30(3,29(32)40)26(22)37(35-24)14-19-7-9-20(31)10-8-19/h5-13,33H,14-16H2,1-4H3,(H2,32,40)(H,34,38)/t30-/m0/s1
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IDH1 Inhibitor 7CAS号: 2135309-56-5分子式: C22H24F3N7O 分子量: 459.47SMILES: O=C1NC[C@H](C(C)C)N1C2=NC(N[C@H](C3=CN(C4=CC=C(C(F)(F)F)C=C4)C=N3)C)=NC=C2
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IDH1 Inhibitor 2CAS号: 2244895-42-7分子式: C26H22N4O 分子量: 406.48SMILES: N#CC1=C[C@@]2(C3=CC=CC=C3)[C@](CCC4=C2N=C(NC5=CC=CC=C5)N=C4)([H])[C@H](C)C1=O
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IDH1 Inhibitor 1CAS号: 2234285-81-3 Compound CID : 137333448分子式: C20H18F4N6O2 分子量: 450.39IUPAC Name: (4R)-4-(fluoromethyl)-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-oneSMILES: CC(C1=CN(C=N1)C2=CC=C(C=C2)C(F)(F)F)NC3=NC=CC(=N3)N4C(COC4=O)CFInChIKey: ULTZLMKTFYRMFK-WFASDCNBSA-NInChI: 1S/C20H18F4N6O2/c1-12(16-9-29(11-26-16)14-4-2-13(3-5-14)20(22,23)24)27-18-25-7-6-17(28-18)30-15(8-21)10-32-19(30)31/h2-7,9,11-12,15H,8,10H2,1H3,(H,25,27,28)/t12-,15-/m0/s1
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Mutant IDH1-IN-1CAS号: 1355326-21-4 Compound CID : 89696514分子式: C30H31FN4O2 分子量: 498.59IUPAC Name: 2-(N-[2-(benzimidazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamideSMILES: CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=NC5=CC=CC=C54InChIKey: DXYIOARJXVTYJW-UHFFFAOYSA-NInChI: 1S/C30H31FN4O2/c1-21-10-5-6-15-25(21)29(30(37)33-23-12-3-2-4-13-23)35(24-14-9-11-22(31)18-24)28(36)19-34-20-32-26-16-7-8-17-27(26)34/h5-11,14-18,20,23,29H,2-4,12-13,19H2,1H3,(H,33,37)
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Mutant IDH1-IN-4CAS号: 1416270-18-2 Compound CID : 71119107分子式: C25H34N4O3 分子量: 438.56IUPAC Name: 8-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrileSMILES: CC1(CC2=C(CO1)C(=NC(=C2C#N)N3CCN(C(C3)C4CC4)C(=O)CCOC)C5CC5)CInChIKey: GNDMXEAGAZOBEM-NRFANRHFSA-NInChI: 1S/C25H34N4O3/c1-25(2)12-18-19(13-26)24(27-23(17-6-7-17)20(18)15-32-25)28-9-10-29(22(30)8-11-31-3)21(14-28)16-4-5-16/h16-17,21H,4-12,14-15H2,1-3H3/t21-/m0/s1
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IDH1 Inhibitor 7-d2CAS号: 2135309-51-0分子式: C22H22D2F3N7O 分子量: 461.48SMILES: O=C1NC([2H])([2H])[C@H](C(C)C)N1C2=NC(N[C@H](C3=CN(C4=CC=C(C(F)(F)F)C=C4)C=N3)C)=NC=C2
