Ligand id: 10

Name: BRL-15572

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 26.71
Molecular weight 406.18
XLogP 8.35
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Price GW, Burton MJ, Collin LJ, Duckworth M, Gaster L, Gothert M, Jones BJ, Roberts C, Watson JM, Middlemiss DN. (1997)
SB-216641 and BRL-15572 compounds to pharmacologically discriminate h5-HT1B and h5-HT1D receptors.
Naunyn Schmiedebergs Arch. Pharmacol., 356: 312-320. [PMID:9303567]