HIT ID: HIT212670799
Cas No: 2354405-14-2
分子式: C29H33F3N8O2S2
分子量: 646.75
常用名: FAK inhibitor 2
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 5.849751
IUPAC: 2-(dimethylamino)ethyl 4-{4-[(4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl)amino]benzoyl}piperazine-1-carbodithioate
IUPAC: 2-(dimethylamino)ethyl 4-{4-[(4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl)amino]benzoyl}piperazine-1-carbodithioate
SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)SCCN(C)C)ncc1C(F)(F)F
SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)SCCN(C)C)ncc1C(F)(F)F
InChI key: UXDPRPCEEZGHNQ-UHFFFAOYSA-N
