HIT ID: HIT101005249
Cas No: 606143-52-6
分子式: C17H15BrClFN4O3
分子量: 457.68
常用名: Selumetinib
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 4.2739224
IUPAC: 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboxamide
IUPAC: 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboxamide
SMILES: Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
SMILES: Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
InChI key: CYOHGALHFOKKQC-UHFFFAOYSA-N
