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Ligand

NameS 14489
Molecular formulaC22H26N2O2
IUPAC name1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
Molecular weight350.462
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.3
Synonyms1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
153607-44-4
4-(Benzodioxan-5-yl)-1-(2-(benzocyclobutan-1-yl)ethyl)piperazine
AC1L4BA2
ACMC-20n6r7
[ Show all ]
Inchi KeyDHYRQVXQZAGWKI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N2O2/c1-2-5-19-17(4-1)16-18(19)8-9-23-10-12-24(13-11-23)20-6-3-7-21-22(20)26-15-14-25-21/h1-7,18H,8-16H2
PubChem CID182595
ChEMBLCHEMBL130276
IUPHARN/A
BindingDB82562
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
604925-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
604945-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
604935-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
5557075-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
60491D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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