HIT ID: HIT212714300
Cas No: 189689-94-9
分子式: C28H23ClFN5O2
分子量: 515.97
常用名: ABT 491 Hydrochloride
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 3.3983135
IUPAC: 4-ethynyl-3-[3-fluoro-4-({2-methyl-1H-imidazo[4,5-c]pyridin-1-yl}methyl)benzoyl]-N,N-dimethyl-1H-indole-1-carboxamide hydrochloride
IUPAC: 4-ethynyl-3-[3-fluoro-4-({2-methyl-1H-imidazo[4,5-c]pyridin-1-yl}methyl)benzoyl]-N,N-dimethyl-1H-indole-1-carboxamide hydrochloride
SMILES: Cl.CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c2c(cccc12)C#C
SMILES: Cl.CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c2c(cccc12)C#C
InChI key: AWRGBOKANQBIBM-UHFFFAOYSA-N
