aurora kinase/Cdk inhibitor

Ligand id: 5932

Name: aurora kinase/Cdk inhibitor

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 154.37
Molecular weight 394.07
XLogP 1.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
Synonyms
JNJ-7706621
Database Links
CAS Registry No. 443797-96-4
ChEMBL Ligand CHEMBL191003
PubChem CID 5330790
RCSB PDB Ligand SKE
Search Google for chemical match using the InChIKey KDKUVYLMPJIGKA-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey KDKUVYLMPJIGKA-UHFFFAOYSA-N
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Comments
Some bioactivity data may be associated with the acetonitrile compound (PubChem CID 16760303).