isoxazole azepine compound 3

Ligand id: 7527

Name: isoxazole azepine compound 3

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 109.72
Molecular weight 399.08
XLogP 3.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
ChEMBL Ligand CHEMBL2431090
PubChem CID 57345400
RCSB PDB Ligand 1XB
Search Google for chemical match using the InChIKey DRSQZZRFHBWKKZ-AWEZNQCLSA-N
Search Google for chemicals with the same backbone DRSQZZRFHBWKKZ
Search UniChem for chemical match using the InChIKey DRSQZZRFHBWKKZ-AWEZNQCLSA-N
Search UniChem for chemicals with the same backbone DRSQZZRFHBWKKZ
SynPHARM 79939 (in complex with bromodomain containing 4)