Bioactive Compound Details

BioIDbio198618
NameNone
ChEMBL IDCHEMBL1088275
Molecular FormulaC14H20N4S
Molecular Weight276.41
Molecular Weight (Monoisotopic)276.1409
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Acetylpyridinen4(Cyclohexyl)Thiosemicarbazone
SmilesC/C(=N\NC(=S)NC1CCCCC1)c1ccccn1
InchiInChI=1S/C14H20N4S/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,16,18,19)/b17-11+
Inchi KeyNHLSZYPMCMMCMK-GZTJUZNOSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities8.0
Np Likeness Score-1.79
Records Key['3, HapN(ch)tsc', '55']
Records Name['2-acetylpyridineN4(cyclohexyl)thiosemicarbazone', '(E)-N-cyclohexyl-2-(1-(pyridin-2-yl)ethylidene)hydrazinecarbothioamide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure