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

Classification
Compound class Synthetic organic
IUPAC Name
4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]-1,4-oxazepane
Synonyms
SCH-1518291
Database Links
CAS Registry No. 1228244-79-8
ChEMBL Ligand CHEMBL1940053
PubChem CID 46239428
Search Google for chemical match using the InChIKey IPHACPSYWWYGQN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IPHACPSYWWYGQN
Search UniChem for chemical match using the InChIKey IPHACPSYWWYGQN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IPHACPSYWWYGQN
Comments
Compound 27 was developed in a SAR study to identify PDE10 inhibitors as potential schizophrenia pharmaceuticals [1]. This was the lead compound selected for further in vivo studies.