compound 8 [PMID: 21692504]

Ligand id: 8491

Name: compound 8 [PMID: 21692504]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 52.89
Molecular weight 216.13
XLogP 2.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Lone AM, Bachovchin DA, Westwood DB, Speers AE, Spicer TP, Fernandez-Vega V, Chase P, Hodder PS, Rosen H, Cravatt BF et al.. (2011)
A substrate-free activity-based protein profiling screen for the discovery of selective PREPL inhibitors.
J. Am. Chem. Soc., 133 (30): 11665-74. [PMID:21692504]