compound 27 [PMID: 22142545]

Ligand id: 8757

Name: compound 27 [PMID: 22142545]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 63.27
Molecular weight 340.19
XLogP 2.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Yang SW, Smotryski J, McElroy WT, Tan Z, Ho G, Tulshian D, Greenlee WJ, Guzzi M, Zhang X, Mullins D et al.. (2012)
Discovery of orally active pyrazoloquinolines as potent PDE10 inhibitors for the management of schizophrenia.
Bioorg. Med. Chem. Lett., 22 (1): 235-9. [PMID:22142545]