nolpitantium

Ligand id: 2107

Name: nolpitantium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 29.54
Molecular weight 619.29
XLogP 10.2
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
Synonyms
SR 140,333 | SR 140333 | SR-140333 | SR140333
Database Links
CAS Registry No. 155418-05-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1178725
PubChem CID 108167
Search Google for chemical match using the InChIKey RPDFDSQFBCJTDY-GAQXSTBRSA-N
Search Google for chemicals with the same backbone RPDFDSQFBCJTDY
Search UniChem for chemical match using the InChIKey RPDFDSQFBCJTDY-GAQXSTBRSA-N
Search UniChem for chemicals with the same backbone RPDFDSQFBCJTDY