ocaperidone

Ligand id: 46

Name: ocaperidone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 49.58
Molecular weight 420.2
XLogP 4.58
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethylpyrido[2,1-b]pyrimidin-4-one
International Nonproprietary Names
INN number INN
6679 ocaperidone
Database Links
CAS Registry No. 129029-23-8 (source: Scifinder)
ChEMBL Ligand CHEMBL2104619
PubChem CID 71351
Search Google for chemical match using the InChIKey ZZQNEJILGNNOEP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZZQNEJILGNNOEP
Search PubMed clinical trials ocaperidone
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Search UniChem for chemical match using the InChIKey ZZQNEJILGNNOEP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZZQNEJILGNNOEP
Wikipedia Ocaperidone