A740003

Ligand id: 4119

Name: A740003

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 120.66
Molecular weight 474.24
XLogP 4.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{1-[(E)-[(cyanoamino)[(quinolin-5-yl)amino]methylidene]amino]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide
Synonyms
A 740003
A-740003
Database Links
CAS Registry No. 861393-28-4 (source: Scifinder)
ChEMBL Ligand CHEMBL255787
PubChem CID 23232014
Search Google for chemical match using the InChIKey PUHSRMSFDASMAE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PUHSRMSFDASMAE