HIT ID: HIT212714857
Cas No: 1347392-70-4
分子式: C23H29FN2O4
分子量: 416.493
常用名: ASP-1645
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 4.2687693
IUPAC: (2S)-2-{[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxo-1,4-dihydroquinolin-3-yl]oxy}propanoic acid
IUPAC: (2S)-2-{[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxo-1,4-dihydroquinolin-3-yl]oxy}propanoic acid
SMILES: C[C@H](Oc1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O)C(O)=O
SMILES: C[C@H](Oc1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O)C(O)=O
InChI key: CRWGPQQAFJBINX-AWEZNQCLSA-N