ocaperidone   Click here for help

GtoPdb Ligand ID: 46

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 63.64
Molecular weight 420.2
XLogP 4.02
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2C
Isomeric SMILES Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2C
InChI InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6679 ocaperidone
Database Links Click here for help
Specialist databases
GPCRdb Ligand ocaperidone
Other databases
CAS Registry No. 129029-23-8 (source: Scifinder)
ChEMBL Ligand CHEMBL2104619
GtoPdb PubChem SID 135650754
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
Search PubMed titles ocaperidone
Search PubMed titles/abstracts ocaperidone
UniChem Compound Search for chemical match using the InChIKey ZZQNEJILGNNOEP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZZQNEJILGNNOEP-UHFFFAOYSA-N
Wikipedia Ocaperidone