Bioactive Compound Details

BioIDbio200339
NameNone
ChEMBL IDCHEMBL428403
Molecular FormulaC27H33NO3
Molecular Weight419.57
Molecular Weight (Monoisotopic)419.246
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsN-(2-Carboxyphenyl)Retinamide
SmilesCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccccc2C(=O)O)C(C)(C)CCC1
InchiInChI=1S/C27H33NO3/c1-19(15-16-23-21(3)12-9-17-27(23,4)5)10-8-11-20(2)18-25(29)28-24-14-7-6-13-22(24)26(30)31/h6-8,10-11,13-16,18H,9,12,17H2,1-5H3,(H,28,29)(H,30,31)/b11-8+,16-15+,19-10+,20-18+
Inchi KeyOAEICKHCODUZKG-FUQLHJDNSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score1.18
Records Key['3']
Records Name['N-(2-carboxyphenyl)retinamide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure