HIT ID: HIT212651500
Cas No: 1096708-71-2
分子式: C17H12Cl2F3N7O2S
分子量: 506.29
常用名: TAK-580
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 2.9876776
IUPAC: 6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
IUPAC: 6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
SMILES: C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(s1)C(=O)Nc1cc(c(Cl)cn1)C(F)(F)F
SMILES: C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(s1)C(=O)Nc1cc(c(Cl)cn1)C(F)(F)F
InChI key: VWMJHAFYPMOMGF-ZCFIWIBFSA-N
