IDH-305
HIT212671899
sdf文件结构编辑类似物检索
HIT ID: HIT212671899
Cas No: 1628805-46-8
分子式: C23H22F4N6O2
分子量: 490.463
常用名: IDH-305
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 4.3863416
IUPAC: (4R)-4-[(1S)-1-fluoroethyl]-3-(2-{[(1S)-1-[4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl]ethyl]amino}pyrimidin-4-yl)-1,3-oxazolidin-2-one
IUPAC: (4R)-4-[(1S)-1-fluoroethyl]-3-(2-{[(1S)-1-[4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl]ethyl]amino}pyrimidin-4-yl)-1,3-oxazolidin-2-one
SMILES: C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1
SMILES: C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1
InChI key: DCGDPJCUIKLTDU-SUNYJGFJSA-N
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