compound 52 [PMID: 9677190]

Ligand id: 5955

Name: compound 52 [PMID: 9677190]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 87.89
Molecular weight 346.13
XLogP 2.42
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)ethan-1-ol
Database Links
CAS Registry No. 212779-48-1
ChEMBL Ligand CHEMBL311228
DrugBank Ligand DB08325
GtoPdb PubChem SID 178102578
PubChem CID 2856
RCSB PDB Ligand OLP
Search Google for chemical match using the InChIKey XZEFMZCNXDQXOZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XZEFMZCNXDQXOZ
Search UniChem for chemical match using the InChIKey XZEFMZCNXDQXOZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XZEFMZCNXDQXOZ