ceforanide

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Ligands
ceforanide

GtoPdb Ligand ID: 12218

Synonyms: BL-S786 | Precef®

ceforanide is an approved drug (FDA (1984))

Compound class: Synthetic organic

Comment: Ceforanide is a semisynthetic, second generation cephalosporin belonging to the β-lactam class of antibacterial compounds [2].

ceforanide is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	12
Hydrogen bond donors	4
Rotatable bonds	11
Topological polar surface area	244.23
Molecular weight	519.56
XLogP	-2.47
No. Lipinski's rules broken	2

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	NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CC(=O)O
Isomeric SMILES	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc1ccccc1CN)C(=O)O)CSc1nnnn1CC(=O)O
InChI	InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1
InChI Key	SLAYUXIURFNXPG-CRAIPNDOSA-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/)