Bioactive Compound Details

BioIDbio197648
NameNone
ChEMBL IDCHEMBL2170363
Molecular FormulaC29H32O4
Molecular Weight444.57
Molecular Weight (Monoisotopic)444.2301
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-(2,3-Diphenethoxybenzylidene)Hexanoic Acid
SmilesCCCC/C(=C\c1cccc(OCCc2ccccc2)c1OCCc1ccccc1)C(=O)O
InchiInChI=1S/C29H32O4/c1-2-3-15-26(29(30)31)22-25-16-10-17-27(32-20-18-23-11-6-4-7-12-23)28(25)33-21-19-24-13-8-5-9-14-24/h4-14,16-17,22H,2-3,15,18-21H2,1H3,(H,30,31)/b26-22+
Inchi KeyZRROTXMOLOPGME-XTCLZLMSSA-N
Molecular SpeciesACID
Targets5.0
Bioactivities7.0
Np Likeness Score0.23
Records Key['29']
Records Name['2-(2,3-diphenethoxybenzylidene)hexanoic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure