BU-E 47

Ligand id: 1219

Name: BU-E 47

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 91.98
Molecular weight 396.18
XLogP 4.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
Database Links
CAS Registry No. 106669-65-2 (source: Scifinder)
ChEMBL Ligand CHEMBL304239
PubChem CID 14660352
Search Google for chemical match using the InChIKey ZOROCGHIPADEFK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZOROCGHIPADEFK
Search UniChem for chemical match using the InChIKey ZOROCGHIPADEFK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZOROCGHIPADEFK