Bioactive Compound Details

BioIDbio198007
NameNone
ChEMBL IDCHEMBL373400
Molecular FormulaC12H16N4S
Molecular Weight248.35
Molecular Weight (Monoisotopic)248.1096
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Acetylpyridine N-Pyrrolidinylthiosemicarbazone
SmilesC/C(=N\NC(=S)N1CCCC1)c1ccccn1
InchiInChI=1S/C12H16N4S/c1-10(11-6-2-3-7-13-11)14-15-12(17)16-8-4-5-9-16/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,17)/b14-10+
Inchi KeyKJWUMRFUJFIVGM-GXDHUFHOSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities12.0
Np Likeness Score-1.96
Records Key['12', '3a', '2', 'SID131404667']
Records Name['Pyrrolidine-1-carbothioic acid (1-pyridin-2-yl-ethylidene)-hydrazide', N'-[(1E)-1-pyridin-2-ylethylidene]pyrrolidine-1-carbothiohydrazide", '2-acetylpyridine N-pyrrolidinylthiosemicarbazone', 'SID131404667']"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure