Oxaquin
HIT212666389
sdf文件结构编辑类似物检索
HIT ID: HIT212666389
Cas No: 790704-50-6
分子式: C31H33F2N4O11P
分子量: 706.593
常用名: Oxaquin
氢键受体数 (HBA): 12
氢键供体数 (HBD): 4
LogP: 1.3201668
IUPAC: 1-cyclopropyl-7-[4-({4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy}methyl)-4-(phosphonooxy)piperidin-1-yl]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC: 1-cyclopropyl-7-[4-({4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy}methyl)-4-(phosphonooxy)piperidin-1-yl]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(OCC2(CCN(CC2)c2cc3n(cc(C(O)=O)c(=O)c3cc2F)C2CC2)OP(O)(O)=O)c(F)c1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(OCC2(CCN(CC2)c2cc3n(cc(C(O)=O)c(=O)c3cc2F)C2CC2)OP(O)(O)=O)c(F)c1
InChI key: MNABRWLVTSGIMU-FQEVSTJZSA-N
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