Bioactive Compound Details

BioIDbio197502
NameNone
ChEMBL IDCHEMBL1819395
Molecular FormulaC29H34O4
Molecular Weight446.59
Molecular Weight (Monoisotopic)446.2457
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-(2,4-Diphenethoxybenzyl)Hexanoic Acid
SmilesCCCCC(Cc1ccc(OCCc2ccccc2)cc1OCCc1ccccc1)C(=O)O
InchiInChI=1S/C29H34O4/c1-2-3-14-26(29(30)31)21-25-15-16-27(32-19-17-23-10-6-4-7-11-23)22-28(25)33-20-18-24-12-8-5-9-13-24/h4-13,15-16,22,26H,2-3,14,17-21H2,1H3,(H,30,31)
Inchi KeyJESZGKRZAKDISG-UHFFFAOYSA-N
Molecular SpeciesACID
Targets12.0
Bioactivities16.0
Np Likeness Score-0.06
Records Key['27', '13']
Records Name['2-(2,4-diphenethoxybenzyl)hexanoic acid', '2-(2,4-diphenethoxybenzyl)hexanoic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure