compound 7a [PMID: 24884590]

Ligand id: 8840

Name: compound 7a [PMID: 24884590]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 62.47
Molecular weight 439.14
XLogP 7.8
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Setoh M, Ishii N, Kono M, Miyanohana Y, Shiraishi E, Harasawa T, Ota H, Odani T, Kanzaki N, Aoyama K et al.. (2014)
Discovery of the first potent and orally available agonist of the orphan G-protein-coupled receptor 52.
J. Med. Chem., 57 (12): 5226-37. [PMID:24884590]