HIT ID: HIT212671324
Cas No: 1415560-64-3
分子式: C29H27F3N4O7S
分子量: 632.61
常用名: GSK256066 Trifluoroacetate
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 4.330044
IUPAC: 6-[3-(dimethylcarbamoyl)benzenesulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide; trifluoroacetic acid
IUPAC: 6-[3-(dimethylcarbamoyl)benzenesulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
SMILES: OC(=O)C(F)(F)F.COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
InChI key: PTTKEASHQDSBJR-UHFFFAOYSA-N
