Cdc2-like kinase inhibitor   

GtoPdb Ligand ID: 5942

Synonyms: Clk inhibitor | TG 003 | TG-003 | TG003
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 26.3
Molecular weight 249.08
XLogP 2.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc2c(c1)n(CC)c(=CC(=O)C)s2
Isomeric SMILES COc1ccc2c(c1)n(CC)/c(=C/C(=O)C)/s2
InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
InChI Key BGVLELSCIHASRV-QPEQYQDCSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(1Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
Synonyms
Clk inhibitor | TG 003 | TG-003 | TG003
Database Links
CAS Registry No. 300801-52-9
ChEMBL Ligand CHEMBL408982
GtoPdb PubChem SID 178102565
PubChem CID 1893668
RCSB PDB Ligand EAE
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