compound 21 [PMID: 21185185]

Ligand id: 5789

Name: compound 21 [PMID: 21185185]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 144.23
Molecular weight 389.15
XLogP 1.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Imbriglio JE, DiRocco D, Bodner R, Raghavan S, Chen W, Marley D, Esser C, Holt TG, Wolff MS, Taggart AK et al.. (2011)
The discovery of high affinity agonists of GPR109a with reduced serum shift and improved ADME properties.
Bioorg. Med. Chem. Lett., 21 (9): 2721-4. [PMID:21185185]