V116517
HIT212713879
sdf文件结构编辑类似物检索
HIT ID: HIT212713879
Cas No: 1073616-61-1
分子式: C19H18ClF3N4O3
分子量: 442.82
常用名: V116517
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 2.1141849
IUPAC: 3-chloro-5-[(1S)-1,2-dihydroxyethyl]-N-[5-(trifluoromethyl)pyridin-2-yl]-1',2',3',6'-tetrahydro-[2,4'-bipyridine]-1'-carboxamide
IUPAC: 3-chloro-5-[(1S)-1,2-dihydroxyethyl]-N-[5-(trifluoromethyl)pyridin-2-yl]-1',2',3',6'-tetrahydro-[2,4'-bipyridine]-1'-carboxamide
SMILES: OC[C@@H](O)c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(Cl)c1 |t:8|
SMILES: OC[C@@H](O)c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(Cl)c1 |t:8|
InChI key: BMWVHVOIXZOJTJ-OAHLLOKOSA-N
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