HIT ID: HIT212708837
Cas No:
分子式: C22H21ClF3N7O
分子量: 491.9
常用名: AD57 (hydrochloride)
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 4.4591837
IUPAC: 3-{4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-1-[3-(trifluoromethyl)phenyl]urea hydrochloride
IUPAC: 3-{4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-1-[3-(trifluoromethyl)phenyl]urea hydrochloride
SMILES: Cl.CC(C)n1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)ncnc12
SMILES: Cl.CC(C)n1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)ncnc12
InChI key: DUBKXOIZTZQJIW-UHFFFAOYSA-N
