ASS234

Ligand id: 7369

Name: ASS234

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 20.64
Molecular weight 443.29
XLogP 6.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine
Database Links
CAS Registry No. 1334106-34-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1929421
GtoPdb PubChem SID 178103941
PubChem CID 53378764
Search Google for chemical match using the InChIKey ADCBAOTWERXLAP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ADCBAOTWERXLAP
Search UniChem for chemical match using the InChIKey ADCBAOTWERXLAP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ADCBAOTWERXLAP