Bioactive Compound Details

BioIDbio198407
NameNone
ChEMBL IDCHEMBL1819396
Molecular FormulaC29H34O4
Molecular Weight446.59
Molecular Weight (Monoisotopic)446.2457
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-(2,5-Diphenethoxybenzyl)Hexanoic Acid
SmilesCCCCC(Cc1cc(OCCc2ccccc2)ccc1OCCc1ccccc1)C(=O)O
InchiInChI=1S/C29H34O4/c1-2-3-14-25(29(30)31)21-26-22-27(32-19-17-23-10-6-4-7-11-23)15-16-28(26)33-20-18-24-12-8-5-9-13-24/h4-13,15-16,22,25H,2-3,14,17-21H2,1H3,(H,30,31)
Inchi KeyOBQTVQRLGOQNRJ-UHFFFAOYSA-N
Molecular SpeciesACID
Targets12.0
Bioactivities16.0
Np Likeness Score-0.04
Records Key['28', '14']
Records Name['2-(2,5-diphenethoxybenzyl)hexanoic acid', '2-(2,5-diphenethoxybenzyl)hexanoic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure