loracarbef   Click here for help

GtoPdb Ligand ID: 12247

Synonyms: KT-3777 | Lorabid® | LY163892
Approved drug
loracarbef is an approved drug (FDA (1991))
Compound class: Synthetic organic
Comment: Loracarbef is a second generation cephalosporin, belonging to the β-lactam class of antibacterial compounds.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 112.73
Molecular weight 349.08
XLogP -1.69
No. Lipinski's rules broken 0
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Canonical SMILES N[C@H](c1ccccc1)C(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(=O)O)Cl
Isomeric SMILES C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N)C(=O)O)Cl
InChI InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1
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Molecular structure representations generated using Open Babel