compound 1 [PMID: 23589301]

Ligand id: 6488

Name: compound 1 [PMID: 23589301]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 98.74
Molecular weight 474.06
XLogP 6.83
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Hudson BD, Due-Hansen ME, Christiansen E, Hansen AM, Mackenzie AE, Murdoch H, Pandey SK, Ward RJ, Marquez R, Tikhonova IG et al.. (2013)
Defining the molecular basis for the first potent and selective orthosteric agonists of the FFA2 free fatty acid receptor.
J. Biol. Chem., 288 (24): 17296-312. [PMID:23589301]