compound 2 [PMID: 24486398]

Ligand id: 8467

Name: compound 2 [PMID: 24486398]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 122.02
Molecular weight 446.18
XLogP 3.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
Database Links
PubChem CID 86279608
Search Google for chemical match using the InChIKey ZLQAEANISSHOLB-WKILWMFISA-N
Search Google for chemicals with the same backbone ZLQAEANISSHOLB
Search UniChem for chemical match using the InChIKey ZLQAEANISSHOLB-WKILWMFISA-N
Search UniChem for chemicals with the same backbone ZLQAEANISSHOLB
Comments
This ligand is represented in PubChem by CID 86279608, which does not include any chiral specification.