HIT ID: HIT212710469
Cas No: 1257628-57-1
分子式: C27H21F3N6O
分子量: 502.501
常用名: S116836
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 5.0342526
IUPAC: 3-{2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl}-N-[3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
IUPAC: 3-{2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl}-N-[3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILES: Cc1ccc(cc1C#Cc1cnc(NC2CC2)nc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1
SMILES: Cc1ccc(cc1C#Cc1cnc(NC2CC2)nc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1
InChI key: DHNAWOULRSDMRU-UHFFFAOYSA-N
