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LFX : Summary
Code
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LFX
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One-letter code
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X
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Molecule name
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(3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
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Synonyms
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Levofloxacin
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Systematic names
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Formula
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C18 H20 F N3 O4
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Formal charge
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0
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Molecular weight
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361.368 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
11.02 |
O=C(O)C=1C(=O)c4c2N(C=1)C(COc2c(N3CCN(C)CC3)c(F)c4)C |
SMILES
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CACTVS |
3.352 |
C[CH]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CC1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O |
Canonical SMILES
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CACTVS |
3.352 |
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
C[C@H]1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O |
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IUPAC InChI | InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1 |
IUPAC InChI key | GSDSWSVVBLHKDQ-JTQLQIEISA-N |
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wwPDB Information |
Atom count
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46 (26 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAD
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2009-10-20
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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