kb-NB142-70

Ligand id: 9369

Name: kb-NB142-70

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 102.87
Molecular weight 251.01
XLogP 1.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
9-hydroxy-3,4-dihydro-2H-[1]benzothiolo[2,3-f][1,4]thiazepin-5-one
Synonyms
kb NB 142-70
Database Links
BindingDB Ligand 50336960
CAS Registry No. 1233533-04-4 (source: PubChem)
ChEMBL Ligand CHEMBL1672571
PubChem CID 45258277
Search Google for chemical match using the InChIKey DHUAGGSHTKPOHU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DHUAGGSHTKPOHU
Search UniChem for chemical match using the InChIKey DHUAGGSHTKPOHU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DHUAGGSHTKPOHU
Comments
kb-NB142-70 is a protein kinase D tool compound inhibitor [1].