compound 9n [PMID: 18752940]

Ligand id: 5795

Name: compound 9n [PMID: 18752940]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 68.52
Molecular weight 428.22
XLogP 5.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Shen HC, Taggart AK, Wilsie LC, Waters MG, Hammond ML, Tata JR, Colletti SL. (2008)
Discovery of pyrazolopyrimidines as the first class of allosteric agonists for the high affinity nicotinic acid receptor GPR109A.
Bioorg. Med. Chem. Lett., 18 (18): 4948-51. [PMID:18752940]