AR-C126313

Ligand id: 1738

Name: AR-C126313

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 105.56
Molecular weight 373.01
XLogP 2.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(7-chloro-10H-benzo[1,2]cyclohepta[2,4-c][1,3]thiazol-10-yl)-1-methyl-4-sulfanylidenepyrimidin-2-one
Synonyms
compound 52 [PMID: 18600475] [3] | compound 71a [PMID: 15078212] [2]
Database Links
PubChem CID 22003577
Search Google for chemical match using the InChIKey ZDHQVQVNOIWLNX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZDHQVQVNOIWLNX
Search UniChem for chemical match using the InChIKey ZDHQVQVNOIWLNX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZDHQVQVNOIWLNX
Comments
The chemical structure of this compound was drawn from articles describing its discovery [2-3].