azlocillin

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Ligands
azlocillin

GtoPdb Ligand ID: 12260

Synonyms: Azlin® | BAY-E-6905

azlocillin is an approved drug (FDA)

Compound class: Synthetic organic

Comment: Azlocillin is a semisynthetic penicillin derivative belonging to the β-lactam class of antibacterial compounds.

azlocillin is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	11
Hydrogen bond donors	4
Rotatable bonds	8
Topological polar surface area	173.45
Molecular weight	461.14
XLogP	0.65
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	O=C([C@@H](c1ccccc1)NC(=O)N1CCNC1=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C
Isomeric SMILES	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)NC(=O)N1CCNC1=O)C(=O)O)C
InChI	InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12-,13+,16-/m1/s1
InChI Key	JTWOMNBEOCYFNV-NFFDBFGFSA-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/)