Bioactive Compound Details

BioIDbio2376
NameNone
ChEMBL IDCHEMBL46427
Molecular FormulaC17H34O2S
Molecular Weight302.52
Molecular Weight (Monoisotopic)302.228
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-Octylsulfanyl-Nonanoic Acid
SmilesCCCCCCCCSCCCCCCCCC(=O)O
InchiInChI=1S/C17H34O2S/c1-2-3-4-5-9-12-15-20-16-13-10-7-6-8-11-14-17(18)19/h2-16H2,1H3,(H,18,19)
Inchi KeyOMIBNTWPNMKIGZ-UHFFFAOYSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities2.0
Np Likeness Score0.06
Records Key['10-thiastearic acid ; 4']
Records Name['9-Octylsulfanyl-nonanoic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure