Bioactive Compound Details

BioIDbio198990
NameNone
ChEMBL IDCHEMBL193649
Molecular FormulaC14H12N4O2S
Molecular Weight300.34
Molecular Weight (Monoisotopic)300.0681
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Nitrobenzaldehyde N-Phenylthiosemicarbazone
SmilesO=[N+]([O-])c1ccccc1/C=N/N=C(\S)Nc1ccccc1
InchiInChI=1S/C14H12N4O2S/c19-18(20)13-9-5-4-6-11(13)10-15-17-14(21)16-12-7-2-1-3-8-12/h1-10H,(H2,16,17,21)/b15-10+
Inchi KeyWSAKIIYETTUERT-XNTDXEJSSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities4.0
Np Likeness Score-1.74
Records Key['2i']
Records Name['2-nitrobenzaldehyde N-phenylthiosemicarbazone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure