Bioactive Compound Details

BioIDbio197143
NameNone
ChEMBL IDCHEMBL96012
Molecular FormulaC14H20N2O2
Molecular Weight248.33
Molecular Weight (Monoisotopic)248.1525
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Acetylamino-Pentanoic Acid Benzylamide
SmilesCCCC(NC(C)=O)C(=O)NCc1ccccc1
InchiInChI=1S/C14H20N2O2/c1-3-7-13(16-11(2)17)14(18)15-10-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10H2,1-2H3,(H,15,18)(H,16,17)
Inchi KeyNWHXEYROVVGNKK-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities12.0
Np Likeness Score-0.76
Records Key['(R,S)-9', '(R,S)-104', '50']
Records Name['(R,S)-2-Acetylamino-pentanoic acid benzylamide', '(R,S)-2-acetamido-N-benzylpentanamide', '2-Acetylamino-pentanoic acid benzylamide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure