compound 2f [PMID: 17532216]

Ligand id: 6342

Name: compound 2f [PMID: 17532216]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 106.67
Molecular weight 415.05
XLogP 2.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[5-(4-chlorophenyl)-6-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamide
Database Links
ChEMBL Ligand CHEMBL245990
GtoPdb PubChem SID 178102960
PubChem CID 44442431
Search Google for chemical match using the InChIKey VRNFEVMRDQNBHD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VRNFEVMRDQNBHD
Search UniChem for chemical match using the InChIKey VRNFEVMRDQNBHD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VRNFEVMRDQNBHD