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异柠檬酸脱氢酶 (IDH)
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AGI-5198,突变体异柠檬酸脱氢酶1（mIDH1）的有效抑制剂CAS号: 1355326-35-0分子式: C27H31FN4O2 分子量: 462.56IUPAC Name: N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamideSMILES: CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4CInChIKey: FNYGWXSATBUBER-UHFFFAOYSA-NInChI: 1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)
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恩西地平CAS号: 1446502-11-9分子式: C19H17F6N7O 分子量: 473.4IUPAC Name: 2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-olSMILES: CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)OInChIKey: DYLUUSLLRIQKOE-UHFFFAOYSA-NInChI: 1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)
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艾伏尼布CAS号: 1448347-49-6分子式: C28H22ClF3N6O3 分子量: 582.96IUPAC Name: (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamideSMILES: C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#NInChIKey: WIJZXSAJMHAVGX-DHLKQENFSA-NInChI: See more
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Vorasidenib (AG-881),抑制剂CAS号: 1644545-52-7 Compound CID : 117817422分子式: C14H13ClF6N6 分子量: 414.74IUPAC Name: 6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamineSMILES: CC(C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)NC(C)C(F)(F)FInChIKey: QCZAWDGAVJMPTA-RNFRBKRXSA-NInChI: 1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
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奥塔西德尼（FT-2102）CAS号: 1887014-12-1分子式: C18H15ClN4O2 分子量: 354.79IUPAC Name: 5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrileSMILES: CC(C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#NInChIKey: NEQYWYXGTJDAKR-JTQLQIEISA-NInChI: 1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
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AGI-5198CAS号: 1355326-35-0分子式: C27H31FN4O2 分子量: 462.56IUPAC Name: N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamideSMILES: CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4CInChIKey: FNYGWXSATBUBER-UHFFFAOYSA-NInChI: 1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)
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奥塔西德尼(FT-2102)CAS号: 1887014-12-1分子式: C18H15ClN4O2 分子量: 354.79IUPAC Name: 5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrileSMILES: CC(C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#NInChIKey: NEQYWYXGTJDAKR-JTQLQIEISA-NInChI: 1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
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Vorasidenib (AG-881)CAS号: 1644545-52-7 Compound CID : 117817422分子式: C14H13ClF6N6 分子量: 414.74IUPAC Name: 6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamineSMILES: CC(C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)NC(C)C(F)(F)FInChIKey: QCZAWDGAVJMPTA-RNFRBKRXSA-NInChI: 1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
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LY3410738CAS号: 2230263-60-0 Compound CID : 135125140IUPAC Name: 7-[[(1S)-1-[4-[(1S)-2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl]phenyl]ethyl]amino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-oneSMILES: CCN1c2nc(ncc2COC1=O)N[C@@H](C)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=CInChIKey: AFGYODUJVVOZAX-CYFREDJKSA-NInChI: See more
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safusidenibCAS号: 1898206-17-1 Compound CID : 130306983IUPAC Name: (E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acidSMILES: FC(C)(C)c1c(c(no1)c1c(cc(cc1Cl)Cl)Cl)C(=O)n1cc(c2c(cccc12)/C=C/C(=O)O)CInChIKey: BOOMBLZEOHXPPX-BQYQJAHWSA-NInChI: 1S/C25H18Cl3FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+
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