compound 22 [PMID: 19289283]

Ligand id: 6349

Name: compound 22 [PMID: 19289283]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 92.19
Molecular weight 365.19
XLogP 2.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Mantell SJ, Gibson KR, Osborne SA, Maw GN, Rees H, Dodd PG, Greener B, Harbottle GW, Million WA, Poinsard C et al.. (2009)
In vitro and in vivo SAR of pyrido[3,4-d]pyramid-4-ylamine based mGluR1 antagonists.
Bioorg. Med. Chem. Lett., 19 (8): 2190-4. [PMID:19289283]