compound 3a [PMID: 21444206]

Ligand id: 5737

Name: compound 3a [PMID: 21444206]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 124.89
Molecular weight 473.17
XLogP 2.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Semple G, Ren A, Fioravanti B, Pereira G, Calderon I, Choi K, Xiong Y, Shin YJ, Gharbaoui T, Sage CR et al.. (2011)
Discovery of fused bicyclic agonists of the orphan G-protein coupled receptor GPR119 with in vivo activity in rodent models of glucose control.
Bioorg. Med. Chem. Lett.21 (10): 3134-41. [PMID:21444206]