compound (+)17a [PMID: 20363624]

Ligand id: 5790

Name: compound (+)17a [PMID: 20363624]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 83.14
Molecular weight 188.08
XLogP 1.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Boatman PD, Schrader TO, Kasem M, Johnson BR, Skinner PJ, Jung JK, Xu J, Cherrier MC, Webb PJ, Semple G et al.. (2010)
Potent tricyclic pyrazole tetrazole agonists of the nicotinic acid receptor (GPR109a).
Bioorg. Med. Chem. Lett., 20 (9): 2797-800. [PMID:20363624]