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卢非酰胺CAS号: 106308-44-5 Compound CID : 129228分子式: C10H8F2N4O 分子量: 238.19IUPAC Name: 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxamideSMILES: C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)FInChIKey: POGQSBRIGCQNEG-UHFFFAOYSA-NInChI: 1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)
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(±)-舒必利CAS号: 15676-16-1分子式: C15H23N3O4S 分子量: 341.43IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamideSMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OCInChIKey: BGRJTUBHPOOWDU-UHFFFAOYSA-NInChI: 1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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Indisulam,分子胶CAS号: 165668-41-7分子式: C14H12ClN3O4S2 分子量: 385.85IUPAC Name: 4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamideSMILES: C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2ClInChIKey: SETFNECMODOHTO-UHFFFAOYSA-NInChI: 1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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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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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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IDH889CAS号: 1429179-07-6 Compound CID : 71542286分子式: C23H25FN6O2 分子量: 436.48IUPAC Name: (4S)-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-oneSMILES: CC1=C(C=CC(=C1)C2=CN=C(N=C2)C(C)NC3=NC=CC(=N3)N4C(COC4=O)C(C)C)FInChIKey: JDCYIMQAIKEACU-HNAYVOBHSA-NInChI: 1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19+/m0/s1
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