compound 1 [PMID: 24793884]

Ligand id: 8218

Name: compound 1 [PMID: 24793884]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 100.55
Molecular weight 250.04
XLogP 1.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl 4-hydroxy-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate
Database Links
ChEMBL Ligand CHEMBL3261228
PubChem CID 54306423
Search Google for chemical match using the InChIKey SHVRAFGUKKOKIO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SHVRAFGUKKOKIO
Search UniChem for chemical match using the InChIKey SHVRAFGUKKOKIO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SHVRAFGUKKOKIO
Comments
Compound 1 is one of the analogues assessed in [1] as a potential cell division cycle 7 (cdc7) inhibitor.