cefodizime

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Ligands
cefodizime

GtoPdb Ligand ID: 12032

Synonyms: HR 221

Compound class: Synthetic organic

Comment: Cefodizime is a third generation cephalosporin belonging to the β-lactam class of antibacterial compounds.

cefodizime is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	11
Hydrogen bond donors	4
Rotatable bonds	11
Topological polar surface area	304.48
Molecular weight	584.03
XLogP	-2.65
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	CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nc(c(s1)CC(=O)O)C
Isomeric SMILES	Cc1c(sc(n1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c2csc(n2)N)SC1)C(=O)O)CC(=O)O
InChI	InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1
InChI Key	XDZKBRJLTGRPSS-BGZQYGJUSA-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/)