compound 4 [PMID: 22533316]

Ligand id: 6712

Name: compound 4 [PMID: 22533316]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 53.6
Molecular weight 430.07
XLogP 5.74
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-enylbutan-1-amine
Database Links
ChEMBL Ligand CHEMBL516921
GtoPdb PubChem SID 178103323
PubChem CID 22314173
Search Google for chemical match using the InChIKey PDHRIPJKNGUCJP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PDHRIPJKNGUCJP
Search UniChem for chemical match using the InChIKey PDHRIPJKNGUCJP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PDHRIPJKNGUCJP