cefroxadine

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Ligands
cefroxadine

GtoPdb Ligand ID: 13619

Synonyms: CGP 9000 | CGP-9000 | Oraspor®

cefroxadine is an approved drug (Japan)

Comment: Cefroxadine is an orally active cephalosporin, belonging to the β-lactam class of antibacterial compounds. It demonstrates broad-spectrum antibacterial activity against Gram-positive and Gram-negative bacteria [1-2].

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	3
Rotatable bonds	6
Topological polar surface area	147.26
Molecular weight	365.41
XLogP	-2.41
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	COC1=C(C(=O)O)N2C(=O)[C@H]([C@H]2SC1)NC(=O)[C@@H](C3=CCC=CC3)N
Isomeric SMILES	COC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O
InChI	InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
InChI Key	RDMOROXKXONCAL-UEKVPHQBSA-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/)