Bioactive Compound Details

BioIDbio198030
NameNone
ChEMBL IDCHEMBL282346
Molecular FormulaC14H14N4S
Molecular Weight270.36
Molecular Weight (Monoisotopic)270.0939
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Acetylpyridine N(4)-Phenyl Thiosemicarbazone
SmilesC/C(=N\NC(=S)Nc1ccccc1)c1ccccn1
InchiInChI=1S/C14H14N4S/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,18,19)/b17-11+
Inchi KeyVHVSCHSQNUUXNS-GZTJUZNOSA-N
Molecular SpeciesNEUTRAL
Targets20.0
Bioactivities47.0
Np Likeness Score-2.08
Records Key['SID131404664', 'HAp4pT', '3', '1, E-isomer', 'Happtsc', '2b', '1', 'H2Ac4Ph', 'tab S1,36', '2b', '5a', '6']
Records Name['SID131404664', '2-acetylpyridine 4-phenyl-3-thiosemicarbazone', '(1E)-1-pyridin-2-ylethan-1-one N-phenylthiosemicarbazone', '(E)-N-phenyl-2-(1-(pyridin-2-yl)ethylidene)hydrazinecarbothioamide', '2-acetylpyridine-N(4)-phenyl-thiosemicarbazone', 'N-phenyl-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide', 'N-phenyl-2-(1-(pyridin-2-yl)ethylidene)hydrazinecarbothioamide', '2-Acetylpyridine N(4)-phenyl thiosemicarbazone', '(E)-N-phenyl-2-(1-(pyridin-2-yl)ethylidene)hydrazinecarbothioamide', '1-phenyl-3-[1-(2-pyridyl)ethylideneamino]thiourea', '(E)-N-phenyl-2-(1-(pyridin-2-yl)ethylidene)hydrazinecarbothioamide', 'N-phenyl-2-(1-(pyridin-2-yl)ethylidene)hydrazine-1-carbothioamide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure