kb-NB142-70   Click here for help

GtoPdb Ligand ID: 9369

Synonyms: kb NB 142-70
Compound class: Synthetic organic
Comment: kb-NB142-70 is a protein kinase D tool compound inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 102.87
Molecular weight 251.01
XLogP 2.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1cc2c3SCCNC(=O)c3sc2cc1
Isomeric SMILES Oc1cc2c3SCCNC(=O)c3sc2cc1
InChI InChI=1S/C11H9NO2S2/c13-6-1-2-8-7(5-6)9-10(16-8)11(14)12-3-4-15-9/h1-2,5,13H,3-4H2,(H,12,14)
InChI Key DHUAGGSHTKPOHU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
9-hydroxy-3,4-dihydro-2H-[1]benzothiolo[2,3-f][1,4]thiazepin-5-one
Synonyms Click here for help
kb NB 142-70
Database Links Click here for help
BindingDB Ligand 50336960
CAS Registry No. 1233533-04-4 (source: PubChem)
ChEMBL Ligand CHEMBL1672571
GtoPdb PubChem SID 328083471
PubChem CID 45258277
Search Google for chemical match using the InChIKey DHUAGGSHTKPOHU-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey DHUAGGSHTKPOHU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DHUAGGSHTKPOHU-UHFFFAOYSA-N

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Tocris
kb NB 142-70 (links to external site)
Cat. No. 3962