compound 3f [PMID: 12238936]

Ligand id: 3111

Name: compound 3f [PMID: 12238936]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 134.63
Molecular weight 548.19
XLogP 1.98
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{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}propanoic acid
Database Links
ChEMBL Ligand CHEMBL142877
GtoPdb PubChem SID 135649715
PubChem CID 11071684
Search Google for chemical match using the InChIKey PILXQRRCKWZQCO-ZJSXRUAMSA-N
Search Google for chemicals with the same backbone PILXQRRCKWZQCO
Search UniChem for chemical match using the InChIKey PILXQRRCKWZQCO-ZJSXRUAMSA-N
Search UniChem for chemicals with the same backbone PILXQRRCKWZQCO