compound 1a [PMID: 24900311]

Ligand id: 7799

Name: compound 1a [PMID: 24900311]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 88.69
Molecular weight 365.14
XLogP 4.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Shi F, Shen JK, Chen D, Fog K, Thirstrup K, Hentzer M, Karlsson JJ, Menon V, Jones KA, Smith KE et al.. (2011)
Discovery and SAR of a Series of Agonists at Orphan G Protein-Coupled Receptor 139.
ACS Med Chem Lett, 2 (4): 303-6. [PMID:24900311]