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Ligand

NameCHEMBL143944
Molecular formulaC21H24FN3O3S
IUPAC name7-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-4H-1,4-benzothiazin-3-one
Molecular weight417.499
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.5
Synonyms7-[2-Hydroxy-3-[4-(4-fluorophenyl)piperazino]propoxy]-3,4-dihydro-2H-1,4-benzothiazine-3-one
7-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-hydroxy-propoxy}-4H-benzo[1,4]thiazin-3-one
BDBM50086665
Inchi KeyASDLXXUOHBNMMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24FN3O3S/c22-15-1-3-16(4-2-15)25-9-7-24(8-10-25)12-17(26)13-28-18-5-6-19-20(11-18)29-14-21(27)23-19/h1-6,11,17,26H,7-10,12-14H2,(H,23,27)
PubChem CID44361776
ChEMBLCHEMBL143944
IUPHARN/A
BindingDB50086665
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13029Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
13030Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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