cefadroxil

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Ligands
cefadroxil

GtoPdb Ligand ID: 4831

Synonyms: Duricef®

cefadroxil is an approved drug (FDA (1978))

Compound class: Synthetic organic

Comment: Cefadroxil is a cephalosporin antibacterial. Like penicillin it is a β-lactam compound.

cefadroxil is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	4
Rotatable bonds	5
Topological polar surface area	158.26
Molecular weight	363.09
XLogP	-2.6
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(c1ccc(cc1)O)N)NC1C(=O)N2C1SCC(=C2C(=O)O)C
Isomeric SMILES	O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C
InChI	InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
InChI Key	BOEGTKLJZSQCCD-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/)