compound 28 [PMID: 7473541]

Ligand id: 3113

Name: compound 28 [PMID: 7473541]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 42.85
Molecular weight 304.22
XLogP 4.74
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-ethylidene({[3-(prop-2-en-1-yl)-4-{3-[(propan-2-yl)amino]propoxy}phenyl]methoxy})amine
Database Links
ChEMBL Ligand CHEMBL134090
GtoPdb PubChem SID 135650222
PubChem CID 44354318
Search Google for chemical match using the InChIKey RLGKAOYAKHPRMW-CGOBSMCZSA-N
Search Google for chemicals with the same backbone RLGKAOYAKHPRMW
Search UniChem for chemical match using the InChIKey RLGKAOYAKHPRMW-CGOBSMCZSA-N
Search UniChem for chemicals with the same backbone RLGKAOYAKHPRMW