MEL57A

Ligand id: 6260

Name: MEL57A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 17
Topological polar surface area 99.24
Molecular weight 737.37
XLogP 5.19
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(Z)-4-[[(Z)-4-(7, 8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)but-2-enyl]-[(2R)-2-(3, 4-dimethoxyphenyl)propyl]amino]but-2-enyl]-7, 8-dimethoxy-1H-3-benzazepin-2-one
Database Links
ChEMBL Ligand CHEMBL1253475
PubChem CID 46937420
Search Google for chemical match using the InChIKey WCJGGTAAPIAIJS-PSEQGZRXSA-N
Search Google for chemicals with the same backbone WCJGGTAAPIAIJS
Search UniChem for chemical match using the InChIKey WCJGGTAAPIAIJS-PSEQGZRXSA-N
Search UniChem for chemicals with the same backbone WCJGGTAAPIAIJS