compound 3a [PMID: 12238936]

Ligand id: 3085

Name: compound 3a [PMID: 12238936]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 134.63
Molecular weight 534.18
XLogP 1.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetamido}acetic acid
Database Links
ChEMBL Ligand CHEMBL422638
PubChem CID 11082054
Search Google for chemical match using the InChIKey CONNCFGSWRVAOP-NFBKMPQASA-N
Search Google for chemicals with the same backbone CONNCFGSWRVAOP
Search UniChem for chemical match using the InChIKey CONNCFGSWRVAOP-NFBKMPQASA-N
Search UniChem for chemicals with the same backbone CONNCFGSWRVAOP