compound 7e [PMID: 21571530]

Ligand id: 5515

Name: compound 7e [PMID: 21571530]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 103.03
Molecular weight 533.14
XLogP 6.39
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Bhuniya D, Umrani D, Dave B, Salunke D, Kukreja G, Gundu J, Naykodi M, Shaikh NS, Shitole P, Kurhade S et al.. (2011)
Discovery of a potent and selective small molecule hGPR91 antagonist.
Bioorg. Med. Chem. Lett., 21 (12): 3596-602. [PMID:21571530]