TCMDC-125163

Ligand id: 10339

Name: TCMDC-125163

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 98.37
Molecular weight 471.18
XLogP 3.95
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
6-(2-methylpiperidin-1-yl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinolin-2-amine
Database Links
ChEMBL Ligand CHEMBL527419
GtoPdb PubChem SID 381745020
PubChem CID 44522281
Search Google for chemical match using the InChIKey AMPNVQJPVKIKEY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AMPNVQJPVKIKEY
Search UniChem for chemical match using the InChIKey AMPNVQJPVKIKEY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AMPNVQJPVKIKEY