[3H]PSB603

Ligand id: 5728

Name: [3H]PSB603    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 132.54
Molecular weight 528.13
XLogP 5.29
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
8-{4-[4-(4-chlorophenyl)piperazine-1-sulfonyl]phenyl}-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Database Links
ChEMBL Ligand CHEMBL483688
GtoPdb PubChem SID 178102354
PubChem CID 44185871
Search Google for chemical match using the InChIKey OVHCTHHFOHMNFV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OVHCTHHFOHMNFV
Search UniChem for chemical match using the InChIKey OVHCTHHFOHMNFV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OVHCTHHFOHMNFV

Product suppliers

Tocris
PSB 603
Cat. No. 3198