Ligand id: 7848

Name: CGP13501

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 37.3
Molecular weight 290.22
XLogP 6.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Urwyler S, Mosbacher J, Lingenhoehl K, Heid J, Hofstetter K, Froestl W, Bettler B, Kaupmann K. (2001)
Positive allosteric modulation of native and recombinant gamma-aminobutyricacid(B) receptors by 2,6-Di-tert-butyl-4-(3-hydroxy-2,2-dimethyl-propyl)-phenol(CGP7930) and its aldehyde analog CGP13501.
Mol Pharmacol., 60: 963-971. [PMID:11641424]