NBBCC

Ligand id: 2374

Name: NBBCC

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 54.98
Molecular weight 268.12
XLogP 3.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
butyl 9H-pyrido[5,4-b]indole-3-carboxylate
Synonyms
n-butyl-β-carboline-3-carboxylate | n-butyl-beta-carboline-3-carboxylate
Database Links
BindingDB Ligand 50027661
CAS Registry No. 84454-35-3
PubChem CID 128618
Search Google for chemical match using the InChIKey WGNGIELOOKACSB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WGNGIELOOKACSB
Search UniChem for chemical match using the InChIKey WGNGIELOOKACSB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WGNGIELOOKACSB
Comments
This compound is represented on ChEMBL by the entry CHEMBL148296 which shows the double bonds in different positions.