compound 3 [PMID: 22533316]

Ligand id: 6711

Name: compound 3 [PMID: 22533316]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 73.83
Molecular weight 448.08
XLogP 4.84
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]butyl-ethylamino]ethanol
Database Links
ChEMBL Ligand CHEMBL1186807
PubChem CID 10138707
Search Google for chemical match using the InChIKey XHOKJNHLSGAYJL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XHOKJNHLSGAYJL
Search UniChem for chemical match using the InChIKey XHOKJNHLSGAYJL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XHOKJNHLSGAYJL