HIT ID: HIT212671469
Cas No: 2234285-81-3
分子式: C20H18F4N6O2
分子量: 450.398
常用名: IDH1 Inhibitor 1
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 3.6217787
IUPAC: (4R)-4-(fluoromethyl)-3-(2-{[(1S)-1-{1-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl}ethyl]amino}pyrimidin-4-yl)-1,3-oxazolidin-2-one
IUPAC: (4R)-4-(fluoromethyl)-3-(2-{[(1S)-1-{1-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl}ethyl]amino}pyrimidin-4-yl)-1,3-oxazolidin-2-one
SMILES: C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(cc1)C(F)(F)F
SMILES: C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(cc1)C(F)(F)F
InChI key: ULTZLMKTFYRMFK-WFASDCNBSA-N
