JTC-801

Ligand id: 1692

Name: JTC-801

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 77.24
Molecular weight 411.19
XLogP 7
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide
Database Links
CAS Registry No. 244218-93-7 (source: Scifinder)
ChEMBL Ligand CHEMBL140979
PubChem CID 5311340
Search Google for chemical match using the InChIKey VTGBZWHPJFMTKS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VTGBZWHPJFMTKS
Search UniChem for chemical match using the InChIKey VTGBZWHPJFMTKS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VTGBZWHPJFMTKS
Wikipedia JTC-801