compound 2f [PMID: 17532216]

Ligand id: 6342

Name: compound 2f [PMID: 17532216]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 106.67
Molecular weight 415.05
XLogP 2.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Wang X, Kolasa T, El Kouhen OF, Chovan LE, Black-Shaefer CL, Wagenaar FL, Garton JA, Moreland RB, Honore P, Lau YY et al.. (2007)
Rapid hit to lead evaluation of pyrazolo[3,4-d]pyrimidin-4-one as selective and orally bioavailable mGluR1 antagonists.
Bioorg. Med. Chem. Lett., 17 (15): 4303-7. [PMID:17532216]