compound 14 [PMID: 25050158]

Ligand id: 8539

Name: compound 14 [PMID: 25050158]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 74.6
Molecular weight 304.17
XLogP 5.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Chen LH, Sun B, Zhang Y, Xu TJ, Xia ZX, Liu JF, Nan FJ. (2014)
Discovery of a Negative Allosteric Modulator of GABAB Receptors.
ACS Med Chem Lett, 5 (7): 742-7. [PMID:25050158]