cefazolin

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Ligands
cefazolin

GtoPdb Ligand ID: 10935

Synonyms: Ancef® | cephazolin | CEZ | Kefzol® | SK&F-41558

cefazolin is an approved drug (FDA (1973))

Compound class: Synthetic organic

Comment: Cefazolin is a β-lactam and first-generation cephalosporin antibacterial.

cefazolin is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	11
Hydrogen bond donors	2
Rotatable bonds	8
Topological polar surface area	234.93
Molecular weight	454.03
XLogP	0.28
No. Lipinski's rules broken	1

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(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnc(s1)C)Cn1cnnn1
Isomeric SMILES	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnc(s1)C)Cn1cnnn1
InChI	InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1
InChI Key	MLYYVTUWGNIJIB-BXKDBHETSA-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/)