Bioactive Compound Details

BioIDbio197578
NameNone
ChEMBL IDCHEMBL231041
Molecular FormulaC13H12N4S
Molecular Weight256.33
Molecular Weight (Monoisotopic)256.0783
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2'-Benzoylpyridine Thiosemicarbazone|2-Benzoylpyridine Thiosemicarbazone
SmilesNC(=S)N/N=C(\c1ccccc1)c1ccccn1
InchiInChI=1S/C13H12N4S/c14-13(18)17-16-12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9H,(H3,14,17,18)/b16-12+
Inchi KeyDJSSWOPZTQTBBW-FOWTUZBSSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities18.0
Np Likeness Score-1.57
Records Key['HBpT', 'HL3', 'BpT', 'HL3', 'BpT', 'BpT']
Records Name['2-benzoylpyridine thiosemicarbazone', '2-benzoylpyridine thiosemicarbazone', 2'-benzoylpyridine thiosemicarbazone", '2-(phenyl(pyridin-2-yl)methylene)hydrazinecarbothioamide', "2'-benzoylpyridine thiosemicarbazone", '2-benzoylpyridine thiosemicarbazone']"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure