IRAK-1/4 inhibitor

Ligand id: 5990

Name: IRAK-1/4 inhibitor

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 102.53
Molecular weight 395.16
XLogP 3.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-yl}-3-nitrobenzamide
Database Links
CAS Registry No. 509093-47-4
ChEMBL Ligand CHEMBL379787
PubChem CID 11983295
Search Google for chemical match using the InChIKey QTCFYQHZJIIHBS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QTCFYQHZJIIHBS
Search UniChem for chemical match using the InChIKey QTCFYQHZJIIHBS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QTCFYQHZJIIHBS
Comments
This is compound 46 in [3].