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Ligand

NameCHEMBL3775473
Molecular formulaC23H19FN2O4S2
IUPAC name6-[(3-fluoro-6H-benzo[c][1,5]benzoxazepin-11-yl)sulfonyl]-4,4-dimethyl-1H-3,1-benzoxazine-2-thione
Molecular weight470.533
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.2
Synonyms6-(8-Fluoro-5,11-dihydrodibenzo[b,e][1,4]oxazepine-5-ylsulfonyl)-4,4-dimethyl-4H-3,1-benzooxazine-2(1H)-thione
BDBM50154361
J3.558.004B
Inchi KeyAXXQTTPUMYEBOV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19FN2O4S2/c1-23(2)17-12-16(8-9-18(17)25-22(31)30-23)32(27,28)26-19-6-4-3-5-14(19)13-29-21-11-15(24)7-10-20(21)26/h3-12H,13H2,1-2H3,(H,25,31)
PubChem CID127029884
ChEMBLCHEMBL3775473
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5219855-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
521987Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
521986Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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