dicloxacillin

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Ligands
dicloxacillin

GtoPdb Ligand ID: 12261

Synonyms: BRL-1702 | Diclocil® | Dynapen®

dicloxacillin is an approved drug (FDA (1968))

Compound class: Synthetic organic

Comment: Dicloxacillin is a narrow-spectrum β-lactam antimicrobial compound.

dicloxacillin is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	5
Topological polar surface area	138.04
Molecular weight	469.03
XLogP	3.66
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)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
Isomeric SMILES	Cc1c(c(no1)c1c(cccc1Cl)Cl)C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O
InChI	InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1
InChI Key	YFAGHNZHGGCZAX-JKIFEVAISA-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/)