cyclacillin

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Ligands
cyclacillin

GtoPdb Ligand ID: 4817

Synonyms: ciclacillin | Cyclapen® | Vastcillin® | Wy-4508

cyclacillin is an approved drug

Compound class: Synthetic organic

Comment: This drug is an aminopenicillin belonging to the β-lactam class of antibacterial compounds.

cyclacillin is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	3
Rotatable bonds	4
Topological polar surface area	138.03
Molecular weight	341.14
XLogP	-1.73
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	OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)C1(N)CCCCC1
Isomeric SMILES	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)C1(N)CCCCC1
InChI	InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1
InChI Key	HGBLNBBNRORJKI-WCABBAIRSA-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/)