VE-821

Ligand id: 8042

Name: VE-821

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 123.42
Molecular weight 368.09
XLogP 3.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
Synonyms
VE 821
Database Links
CAS Registry No. 1232410-49-9
ChEMBL Ligand CHEMBL1766779
PubChem CID 51000408
Search Google for chemical match using the InChIKey DUIHHZKTCSNTGM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DUIHHZKTCSNTGM
Search UniChem for chemical match using the InChIKey DUIHHZKTCSNTGM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DUIHHZKTCSNTGM
Comments
VE-821 [1] is an inhibitor of the atypical protein kinase ATR.