sonepiprazole   Click here for help

GtoPdb Ligand ID: 980

Synonyms: PNU101,387G | U-101,387
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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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
InChI Key WNUQCGWXPNGORO-NRFANRHFSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[4-[2-[(1S)-isochroman-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide
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
BindingDB Ligand 50051565
CAS Registry No. 170858-33-0 (source: Scifinder)
ChEMBL Ligand CHEMBL69759
GtoPdb PubChem SID 135650842
PubChem CID 133079
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Tocris
Sonepiprazole
Cat. No. 4185