cyanopindolol

Ligand id: 132

Name: cyanopindolol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 81.07
Molecular weight 287.16
XLogP 1.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile
Database Links
BindingDB Ligand 81499
CAS Registry No. 69906-85-0 (source: Scifinder)
ChEMBL Ligand CHEMBL378501
PubChem CID 155346
Search Google for chemical match using the InChIKey QXIUMMLTJVHILT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QXIUMMLTJVHILT
Search UniChem for chemical match using the InChIKey QXIUMMLTJVHILT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QXIUMMLTJVHILT
Wikipedia Cyanopindolol
Comments
The structure of ligand as specified by the PDB compound link corresponds to CID 46937143, and shows structural differences from the structure shown here and represented by CID 155346.