HIT ID: HIT212651191
Cas No: 1375465-09-0
分子式: C26H27F4N7O2
分子量: 545.543
常用名: CNX-2006
氢键受体数 (HBA): 8
氢键供体数 (HBD): 4
LogP: 4.497666
IUPAC: N-[3-({2-[(4-{[1-(2-fluoroethyl)azetidin-3-yl]amino}-2-methoxyphenyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]prop-2-enamide
IUPAC: N-[3-({2-[(4-{[1-(2-fluoroethyl)azetidin-3-yl]amino}-2-methoxyphenyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]prop-2-enamide
SMILES: COc1cc(NC2CN(CCF)C2)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
SMILES: COc1cc(NC2CN(CCF)C2)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
InChI key: BFSRTTWIPACGMI-UHFFFAOYSA-N
