Bioactive Compound Details

BioIDbio198304
NameNone
ChEMBL IDCHEMBL1935518
Molecular FormulaC9H9N3O3S
Molecular Weight239.26
Molecular Weight (Monoisotopic)239.0365
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-(2-Carbamothioylhydrazinecarbonyl)Benzoic Acid
SmilesNC(=S)NNC(=O)c1ccccc1C(=O)O
InchiInChI=1S/C9H9N3O3S/c10-9(16)12-11-7(13)5-3-1-2-4-6(5)8(14)15/h1-4H,(H,11,13)(H,14,15)(H3,10,12,16)
Inchi KeyKPSPJRDTOGNICU-UHFFFAOYSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities2.0
Np Likeness Score-1.39
Records Key['7, AG-690/40246195', '3c']
Records Name['2-(2-carbamothioylhydrazinecarbonyl)benzoic acid', '1-(2-Carboxybenzoyl)-3-thiosemicarbazide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure