compound 18 [PMID: 20873740]

Ligand id: 8191

Name: compound 18 [PMID: 20873740]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 110.68
Molecular weight 279.11
XLogP 2.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
Database Links
ChEMBL Ligand CHEMBL1270230
PubChem CID 24809764
Search Google for chemical match using the InChIKey VOQXQYXTZZHYBF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VOQXQYXTZZHYBF
Search UniChem for chemical match using the InChIKey VOQXQYXTZZHYBF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VOQXQYXTZZHYBF
Comments
Compound 18 was identified in a medicinal chemistry study to identify novel inhibitors of cell division cycle 7 (Cdc7) kinase [1].