compound 38 [PMID: 22123324]

Ligand id: 7757

Name: compound 38 [PMID: 22123324]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 63.29
Molecular weight 466.27
XLogP 6.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[[(1R)-1-(propylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]carbazole-9-carboxamide
Database Links
PubChem CID 86277835
Search Google for chemical match using the InChIKey LMNFAMWQPPUUNJ-AREMUKBSSA-N
Search Google for chemicals with the same backbone LMNFAMWQPPUUNJ
Search UniChem for chemical match using the InChIKey LMNFAMWQPPUUNJ-AREMUKBSSA-N
Search UniChem for chemicals with the same backbone LMNFAMWQPPUUNJ
Comments
The synthesis of this MCH2 receptor antagonist is described in [1]. The image drawn in this article is somewhat unclear as to the stereochemistry of the bond to the NH-acetyl side chain. We have drawn this as a R bond.