compound 74a [PMID: 27077528]

Ligand id: 9145

Name: compound 74a [PMID: 27077528]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 66.24
Molecular weight 326.2
XLogP 4.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Gomtsyan A, Schmidt RG, Bayburt EK, Gfesser GA, Voight EA, Daanen JF, Schmidt DL, Cowart MD, Liu H, Altenbach RJ et al.. (2016)
Synthesis and Pharmacology of (Pyridin-2-yl)methanol Derivatives as Novel and Selective Transient Receptor Potential Vanilloid 3 Antagonists.
J. Med. Chem., 59 (10): 4926-47. [PMID:27077528]