compound 22 [PMID: 17276684]

Ligand id: 6358

Name: compound 22 [PMID: 17276684]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 54.12
Molecular weight 306.14
XLogP 4.5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Di Fabio R, Micheli F, Alvaro G, Cavanni P, Donati D, Gagliardi T, Fontana G, Giovannini R, Maffeis M, Mingardi A et al.. (2007)
From pyrroles to 1-oxo-2,3,4,9-tetrahydro-1H-beta-carbolines: a new class of orally bioavailable mGluR1 antagonists.
Bioorg. Med. Chem. Lett., 17 (8): 2254-9. [PMID:17276684]