IN-3

Ligand id: 5584

Name: IN-3

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 61.02
Molecular weight 562.37
XLogP 8
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(3-azabicyclo[2.2.2]octan-3-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(2-pyridin-4-ylethylamino)propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one
Synonyms
analogue 24 [PMID: 11551758] [1] | IN 3
Database Links
CAS Registry No. 255863-81-1 (source: Scifinder)
ChEMBL Ligand CHEMBL314260
PubChem CID 10231401
Search Google for chemical match using the InChIKey GGVFLXSCFPVLMS-WPCLDFDBSA-N
Search Google for chemicals with the same backbone GGVFLXSCFPVLMS
Search UniChem for chemical match using the InChIKey GGVFLXSCFPVLMS-WPCLDFDBSA-N
Search UniChem for chemicals with the same backbone GGVFLXSCFPVLMS