Cdk1/2 inhibitor III

Ligand id: 5946

Name: Cdk1/2 inhibitor III

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 153.95
Molecular weight 425.05
XLogP 1.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-amino-N-(2,6-difluorophenyl)-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbothioamide
Database Links
CAS Registry No. 443798-55-8
ChEMBL Ligand CHEMBL261720
DrugBank Ligand DB07664
PubChem CID 5330812
RCSB PDB Ligand DKI
Search Google for chemical match using the InChIKey ARIOBGGRZJITQX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ARIOBGGRZJITQX
Search UniChem for chemical match using the InChIKey ARIOBGGRZJITQX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ARIOBGGRZJITQX