cephradine

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Ligands
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 antibacterial.

cephradine is commercially available from our sponsors

2D Structure

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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)