cefovecin

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cefovecin

GtoPdb Ligand ID: 13654

Synonyms: Convenia® (veterinary)

Comment: Cefovecin is a third generation cephalosporin belonging to the β-lactam class of antibacterial compounds. It has activity against Gram-positive and Gram-negative bacteria and was developed for use in veterinary medicine [1].

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	9
Hydrogen bond donors	3
Rotatable bonds	7
Topological polar surface area	206.51
Molecular weight	453.5
XLogP	-2.32
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	CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@@H]2C(=O)N3C(=C(CS[C@H]23)[C@@H]4CCCO4)C(=O)O
Isomeric SMILES	CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)[C@@H]4CCCO4)C(=O)O
InChI	InChI=1S/C17H19N5O6S2/c1-27-21-10(8-6-30-17(18)19-8)13(23)20-11-14(24)22-12(16(25)26)7(5-29-15(11)22)9-3-2-4-28-9/h6,9,11,15H,2-5H2,1H3,(H2,18,19)(H,20,23)(H,25,26)/b21-10-/t9-,11+,15+/m0/s1
InChI Key	ZJGQFXVQDVCVOK-QFKLAVHZSA-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/)