Bioactive Compound Details

BioIDbio199723
NameNone
ChEMBL IDCHEMBL312607
Molecular FormulaC9H6O2S
Molecular Weight178.21
Molecular Weight (Monoisotopic)178.0089
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsBenzo[B]Thiophene-2-Carboxylic Acid
SmilesO=C(O)c1cc2ccccc2s1
InchiInChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
Inchi KeyDYSJMQABFPKAQM-UHFFFAOYSA-N
Molecular SpeciesACID
Targets9.0
Bioactivities12.0
Np Likeness Score-1.34
Records Key['1', '32', '2', '15', '10k', 'BL-5583', 'BL-5583', 'BL-5583', 'H7', 'BL-5583']
Records Name['benzo[b]thiophene-2-carboxylic acid', 'Benzo[b]thiophene-2-carboxylic acid', 'benzo[b]thiophene-2-carboxylic acid', 'benzo[b]thiophene-2-carboxylic acid', 'Benzo[b]thiophene-2-carboxylic acid', 'BL-5583', 'BL-5583', 'BL-5583', 'benzo[b]thiophene-2-carboxylic acid', 'BL-5583']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure