Bioactive Compound Details

BioIDbio199306
NameNone
ChEMBL IDCHEMBL78126
Molecular FormulaC21H22O3
Molecular Weight322.4
Molecular Weight (Monoisotopic)322.1569
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-(3,4,5-Trimethoxyphenethyl)Naphthalene
SmilesCOc1cc(CCc2ccc3ccccc3c2)cc(OC)c1OC
InchiInChI=1S/C21H22O3/c1-22-19-13-16(14-20(23-2)21(19)24-3)9-8-15-10-11-17-6-4-5-7-18(17)12-15/h4-7,10-14H,8-9H2,1-3H3
Inchi KeyLXLRBXQETIBITH-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets14.0
Bioactivities31.0
Np Likeness Score0.16
Records Key['3e', '2c', '1', '2', '3e', 'Table S1, R5C4', 'Sm43']
Records Name['2-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-naphthalene', '2-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-naphthalene', '2-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-naphthalene', '2-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-naphthalene', '2-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-naphthalene', '2-(3,4,5-trimethoxyphenethyl)naphthalene', '2-(3,4,5-trimethoxyphenethyl)naphthalene']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure