Bioactive Compound Details

BioIDbio197386
NameNone
ChEMBL IDCHEMBL185075
Molecular FormulaC7H10O5
Molecular Weight174.15
Molecular Weight (Monoisotopic)174.0528
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Oxo-Heptanedioic Acid|2-Oxoheptanedioic Acid|Alpha-Ketopimelic Acid
SmilesO=C(O)CCCCC(=O)C(=O)O
InchiInChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)
Inchi KeyHABHUTWTLGRDDU-UHFFFAOYSA-N
Molecular SpeciesACID
Targets4.0
Bioactivities8.0
Np Likeness Score0.84
Records Key['alpha-ketopimelic acid', 'alpha-ketopimelic acid', '9', 'alpha-Ketopimelic acid']
Records Name['2-Oxo-heptanedioic acid', 'alpha-ketopimelic acid', 'alpha-ketopimelic acid', '2-oxoheptanedioic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure