compound 21 [PMID: 7473541]

Ligand id: 3115

Name: compound 21 [PMID: 7473541]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 21.26
Molecular weight 309.21
XLogP 7.53
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
{3-[4-phenyl-2-(prop-2-en-1-yl)phenoxy]propyl}(propan-2-yl)amine
Database Links
ChEMBL Ligand CHEMBL131973
GtoPdb PubChem SID 135649725
PubChem CID 10591006
RCSB PDB Ligand 673
Search Google for chemical match using the InChIKey CKIDETHAWPUGOQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CKIDETHAWPUGOQ
Search UniChem for chemical match using the InChIKey CKIDETHAWPUGOQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CKIDETHAWPUGOQ