compound 1 [PMID: 24900608]

Ligand id: 7800

Name: compound 1 [PMID: 24900608]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 60.46
Molecular weight 352.12
XLogP 2.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Boehm M, Hepworth D, Loria PM, Norquay LD, Filipski KJ, Chin JE, Cameron KO, Brenner M, Bonnette P, Cabral S et al.. (2013)
Chemical Probe Identification Platform for Orphan GPCRs Using Focused Compound Screening: GPR39 as a Case Example.
ACS Med Chem Lett, 4 (11): 1079-84. [PMID:24900608]