7-((7S)-7-Amino-7-methyl-5-azaspiro(2.4)heptan-5-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Base Information

• Chemical Name: 7-((7S)-7-Amino-7-methyl-5-azaspiro(2.4)heptan-5-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
• CAS No.: 915302-91-9
• Molecular Formula: C₂₁H₂₃F₂N₃O₄
• Molecular Weight: 419.428
• UNII: YC4TYN9ANY
• ChEMBL ID: CHEMBL1197225
• DSSTox Substance ID: DTXSID801100586
• Nikkaji Number: J2.462.545A

Synonyms:YC4TYN9ANY;DC159;DC-159;915302-91-9;7-((7S)-7-Amino-7-methyl-5-azaspiro(2.4)heptan-5-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;3-Quinolinecarboxylic acid, 7-((7S)-7-amino-7-methyl-5-azaspiro(2.4)hept-5-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-8-methoxy-4-oxo;7-((7S)-7-Amino-7-methyl-5-azaspiro(2.4)heptan-5-yl)-6-fluoro-8-methoxy-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid;UNII-YC4TYN9ANY;SCHEMBL90589;CHEMBL1197225;DTXSID801100586;PD162602;7-[(7S)-7-Amino-7-methyl-5-azaspiro[2.4]hept-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Chemical Property of 7-((7S)-7-Amino-7-methyl-5-azaspiro(2.4)heptan-5-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 419.16566255
• Heavy Atom Count: 30
• Complexity: 818

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Useful:

• Canonical SMILES: CC1(CN(CC12CC2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5F)F)N
• Isomeric SMILES: C[C@]1(CN(CC12CC2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@@H]5F)F)N

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