PKR inhibitor, negative control   

GtoPdb Ligand ID: 6027

Synonyms: RNA-dependent protein kinase inhibitor, negative control
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 49.33
Molecular weight 338.96
XLogP 4.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc2c(c1)C(=Cc1cc(Cl)c(c(c1)Cl)O)C(=O)N2
Isomeric SMILES Clc1ccc2c(c1)/C(=C/c1cc(Cl)c(c(c1)Cl)O)/C(=O)N2
InChI InChI=1S/C15H8Cl3NO2/c16-8-1-2-13-9(6-8)10(15(21)19-13)3-7-4-11(17)14(20)12(18)5-7/h1-6,20H,(H,19,21)/b10-3-
InChI Key ZJFMARHFPUZEKI-KMKOMSMNSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(3Z)-5-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
Synonyms
RNA-dependent protein kinase inhibitor, negative control
Database Links
CAS Registry No. 852547-30-9
ChEMBL Ligand CHEMBL2218932
GtoPdb PubChem SID 178102649
PubChem CID 16760619
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