Bioactive Compound Details

BioIDbio200060
NameBEPHENIUM HYDROXYNAPHTHOATE
ChEMBL IDCHEMBL1673148
Molecular FormulaC28H29NO4
Molecular Weight443.54
Molecular Weight (Monoisotopic)443.2097
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsALCOPAR|ALCOPARA|BEFEN|BEFENIOL|BEPHENAMINE HYDROXYNAPHTHOATE|BEPHENE OXINAPHTOATE|BEPHENII HYDROXYNAPHTHOAS|BEPHENIUM 3-HYDROXY-2-NAPHTHOATE|BEPHENIUM EMBONATE|BEPHENIUM HYDROXYNAPHTHOATE|DEBEFENIUM|FEDAL-UNCIN|FRANTIN|HIDROXINAFTOATO DE BEFENIO|HYDROXYNAPHTOATE DE BEPHENIUM|LECIBIS|NAFTAMON|NAPHTAMON|NAPHTAMONE|NEMEX|NSC-759245
SmilesC[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O
InchiInChI=1S/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-12H,13-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;/p-1
Inchi KeyPMPQCPQAHTXCDK-UHFFFAOYSA-M
Molecular SpeciesNone
Targets4.0
Bioactivities12.0
Np Likeness ScoreNone
Records Key['bephenium hydroxynaphthoate', 'Bephenium hydroxynaphthoate', 'BEPHENIUM HYDROXYNAPHTHOATE', 'Bephenium hydroxynaphthoate', 'Bephenium hydroxynaphthoate', 'BEPHENIUM HYDROXYNAPHTHOATE']
Records Name['bephenium hydroxynaphthoate', 'Bephenium hydroxynaphthoate', 'BEPHENIUM HYDROXYNAPHTHOATE', 'Bephenium hydroxynaphthoate', 'Bephenium hydroxynaphthoate', 'BEPHENIUM HYDROXYNAPHTHOATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure