sonepiprazole   Click here for help

GtoPdb Ligand ID: 980

Synonyms: PNU101,387G | U-101,387
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 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 84.25
Molecular weight 401.18
XLogP 2.28
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC1)CCC1OCCc2c1cccc2
Isomeric SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC1)CC[C@@H]1OCCc2c1cccc2
InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1
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
7799 sonepiprazole
Synonyms Click here for help
PNU101,387G | U-101,387
Database Links Click here for help
Specialist databases
GPCRdb Ligand sonepiprazole
Other databases
BindingDB Ligand 50051565
CAS Registry No. 170858-33-0 (source: Scifinder)
ChEMBL Ligand CHEMBL69759
GtoPdb PubChem SID 135650842
PubChem CID 133079
Search Google for chemical match using the InChIKey WNUQCGWXPNGORO-NRFANRHFSA-N
Search Google for chemicals with the same backbone WNUQCGWXPNGORO
Search PubMed clinical trials sonepiprazole
Search PubMed titles sonepiprazole
Search PubMed titles/abstracts sonepiprazole
UniChem Compound Search for chemical match using the InChIKey WNUQCGWXPNGORO-NRFANRHFSA-N
UniChem Connectivity Search for chemical match using the InChIKey WNUQCGWXPNGORO-NRFANRHFSA-N
Wikipedia Sonepiprazole

Product suppliers

View disclaimer

Sonepiprazole (links to external site)
Cat. No. 4185