compound 2 [PMID: 24793972]

Ligand id: 7798

Name: compound 2 [PMID: 24793972]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 59.22
Molecular weight 455.29
XLogP 9.34
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Jin C, Decker AM, Huang XP, Gilmour BP, Blough BE, Roth BL, Hu Y, Gill JB, Zhang XP. (2014)
Synthesis, pharmacological characterization, and structure-activity relationship studies of small molecular agonists for the orphan GPR88 receptor.
ACS Chem Neurosci, 5 (7): 576-87. [PMID:24793972]