compound 1 [PMID: 25719566]

Ligand id: 8302

Name: compound 1 [PMID: 25719566]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 72.32
Molecular weight 354.16
XLogP 4.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]benzonitrile
Database Links
PubChem CID 50967109
RCSB PDB Ligand 43C
Search Google for chemical match using the InChIKey OAPIWVHFYSEARE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OAPIWVHFYSEARE
Search UniChem for chemical match using the InChIKey OAPIWVHFYSEARE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OAPIWVHFYSEARE
SynPHARM 81939 (in complex with bromodomain adjacent to zinc finger domain 2B)