cephradine   

GtoPdb Ligand ID: 4830

Synonyms: cefradine | Infexin® | Velocef®
cephradine is an approved drug (FDA (1974, prior history not available ))
Compound class: Synthetic organic
Comment: Cefradine is a cephalosporin antibiotic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 138.03
Molecular weight 349.11
XLogP -2.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(C(C1=CCC=CC1)N)NC1C(=O)N2C1SCC(=C2C(=O)O)C
Isomeric SMILES O=C([C@@H](C1=CCC=CC1)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C
InChI InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
InChI Key RDLPVSKMFDYCOR-UEKVPHQBSA-N