compound 2 [PMID: 19230660]

Ligand id: 5530

Name: compound 2 [PMID: 19230660]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 82.5
Molecular weight 542.34
XLogP 5.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Malik L, Kelly NM, Ma JN, Currier EA, Burstein ES, Olsson R. (2009)
Discovery of non-peptidergic MrgX1 and MrgX2 receptor agonists and exploration of an initial SAR using solid-phase synthesis.
Bioorg. Med. Chem. Lett.19 (6): 1729-32. [PMID:19230660]