ML SA1

Ligand id: 6386

Name: ML SA1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 57.69
Molecular weight 362.16
XLogP 5.01
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]isoindole-1,3-dione
Synonyms
ML-SA1
Database Links
CAS Registry No. 332382-54-4 (source: SciFinder)
ChEMBL Ligand CHEMBL1527280
PubChem CID 2880983
Search Google for chemical match using the InChIKey KDDHBJICVBONAX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KDDHBJICVBONAX
Search UniChem for chemical match using the InChIKey KDDHBJICVBONAX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KDDHBJICVBONAX