compound 1 [PMID: 21939274]

Ligand id: 5743

Name: compound 1 [PMID: 21939274]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 95.24
Molecular weight 402.18
XLogP 2.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Sharma R, Eng H, Walker GS, Barreiro G, Stepan AF, McClure KF, Wolford A, Bonin PD, Cornelius P, Kalgutkar AS. (2011)
Oxidative metabolism of a quinoxaline derivative by xanthine oxidase in rodent plasma.
Chem. Res. Toxicol., 24 (12): 2207-16. [PMID:21939274]