Bioactive Compound Details

BioIDbio199633
NameNone
ChEMBL IDCHEMBL507986
Molecular FormulaC10H14N4S
Molecular Weight222.32
Molecular Weight (Monoisotopic)222.0939
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Acetylpyridine N4(Ethyl)Thiosemicarbazone
SmilesCCNC(=S)N/N=C(\C)c1ccccn1
InchiInChI=1S/C10H14N4S/c1-3-11-10(15)14-13-8(2)9-6-4-5-7-12-9/h4-7H,3H2,1-2H3,(H2,11,14,15)/b13-8+
Inchi KeyJTHKAYIQGRORJA-MDWZMJQESA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities11.0
Np Likeness Score-2.25
Records Key['2, HapN(et)tsc', 'HAp4eT', 'HAp4eT']
Records Name['2-acetylpyridine N4(ethyl)thiosemicarbazone', '2-acetylpyridine 4-ethyl-3-thiosemicarbazone', '(E)-N-Ethyl-2-(1-(pyridin-2-yl)ethylidene)hydrazinecarbothioamide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure