compound 7d [PMID: 25703523]

Ligand id: 8304

Name: compound 7d [PMID: 25703523]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 89.71
Molecular weight 319.01
XLogP 1.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-(5-bromo-2-methoxyphenyl)-7H-purin-2-amine
Database Links
GtoPdb PubChem SID 252166516
PubChem CID 90684387
RCSB PDB Ligand 43U
Search Google for chemical match using the InChIKey KDNVOUMYSICLPF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KDNVOUMYSICLPF
Search UniChem for chemical match using the InChIKey KDNVOUMYSICLPF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KDNVOUMYSICLPF
SynPHARM 81940 (in complex with bromodomain containing 4)