Bioactive Compound Details

BioIDbio198490
Name1-(METHOXYMETHYL)-6-(NAPHTHALEN-2-YL)-3-AZABICYCLO[4.1.0]HEPTANE (ENANTIOMERIC MIX)
ChEMBL IDCHEMBL1172744
Molecular FormulaC18H21NO
Molecular Weight267.37
Molecular Weight (Monoisotopic)267.1623
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCOC[C@@]12CNCC[C@]1(c1ccc3ccccc3c1)C2
InchiInChI=1S/C18H21NO/c1-20-13-17-11-18(17,8-9-19-12-17)16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10,19H,8-9,11-13H2,1H3/t17-,18-/m1/s1
Inchi KeyKTJHVHZJTXJNIH-QZTJIDSGSA-N
Molecular SpeciesBASE
Targets10.0
Bioactivities16.0
Np Likeness Score0.89
Records Key['28, single enantiomer', 'rac-26', '27, single enantiomer']
Records Name['1-(methoxymethyl)-6-(naphthalen-2-yl)-3-azabicyclo[4.1.0]heptane', 'rac-1-[(Methyloxy)methyl]-6-(2-naphthalenyl)-3-azabicyclo[4.1.0]-heptane', '1-(methoxymethyl)-6-(naphthalen-2-yl)-3-azabicyclo[4.1.0]heptane']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure