HIT ID: HIT213764149
Cas No: 2296719-34-9
分子式: C20H20F3N5O3S
分子量: 467.47
常用名: Defactinib analogue-1
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 3.919
IUPAC: N-{3-[({2-[(4-hydroxyphenyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}-N-methylmethanesulfonamide
IUPAC: N-{3-[({2-[(4-hydroxyphenyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}-N-methylmethanesulfonamide
SMILES: CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
SMILES: CN(c1cccc(CNc2nc(Nc3ccc(O)cc3)ncc2C(F)(F)F)c1)S(C)(=O)=O
InChI key: RNSJIMRLQPNKST-UHFFFAOYSA-N
