HIT ID: HIT219251626
Cas No: 3062175-62-3
分子式: C39H45Cl2F3N8O3
分子量: 801.74
常用名: FAK-IN-24
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-(4-{4-[(4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl)amino]phenyl}piperazin-1-yl)ethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
IUPAC: 2-(4-{4-[(4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl)amino]phenyl}piperazin-1-yl)ethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCN(CCOC(=O)CCCc3ccc(cc3)N(CCCl)CCCl)CC2)ncc1C(F)(F)F
SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCN(CCOC(=O)CCCc3ccc(cc3)N(CCCl)CCCl)CC2)ncc1C(F)(F)F
InChI key: NTOYIQULHFDSNY-UHFFFAOYSA-N
