compound 77 [PMID: 24793884]

Ligand id: 8217

Name: compound 77 [PMID: 24793884]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 145.25
Molecular weight 361.04
XLogP 1.11
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(2-aminopyrimidin-4-yl)-4-(2-chloro-4-methoxyphenyl)-1,3-thiazole-5-carboxamide
Database Links
ChEMBL Ligand CHEMBL3261517
GtoPdb PubChem SID 249565897
PubChem CID 90643548
Search Google for chemical match using the InChIKey VCUXVXLUOHDHKK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VCUXVXLUOHDHKK
Search UniChem for chemical match using the InChIKey VCUXVXLUOHDHKK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VCUXVXLUOHDHKK
Comments
Compound 77 is one of the analogues assessed in [1] as a potential cell division cycle 7 (cdc7) inhibitor.