cefazedone

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Ligands
cefazedone

GtoPdb Ligand ID: 12203

Synonyms: EMD-30087 | Refosporen®

Compound class: Synthetic organic

Comment: Cefazedone is a semisynthetic first generation cephalosporin belonging to the β-lactam class of antibacterial compounds.

cefazedone is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	2
Rotatable bonds	8
Topological polar surface area	213.33
Molecular weight	546.96
XLogP	3.28
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	Cc1nnc(s1)SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cn1cc(Cl)c(=O)c(c1)Cl
Isomeric SMILES	Cc1nnc(s1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cn2cc(c(=O)c(c2)Cl)Cl)SC1)C(=O)O
InChI	InChI=1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30)/t12-,16-/m1/s1
InChI Key	VTLCNEGVSVJLDN-MLGOLLRUSA-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/)