BCTC

Ligand id: 2460

Name: BCTC

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 48.47
Molecular weight 372.17
XLogP 5.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide
Database Links
BindingDB Ligand 50133817
CAS Registry No. 393514-24-4 (source: Scifinder)
ChEMBL Ligand CHEMBL441472
GtoPdb PubChem SID 53801006
PubChem CID 9929425
Search Google for chemical match using the InChIKey ROGUAPYLUCHQGK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ROGUAPYLUCHQGK
Search UniChem for chemical match using the InChIKey ROGUAPYLUCHQGK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ROGUAPYLUCHQGK