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Ligand

NameSMR000196568
Molecular formulaC18H16BrNO4S
IUPAC name[4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate
Molecular weight422.293
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.5
Synonyms(E)-4-bromo-2-(3-(thiophen-2-yl)acryloyl)phenyl morpholine-4-carboxylate
1164454-63-0
4-bromo-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl morpholine-4-carboxylate
4-bromo-2-[3-(2-thienyl)acryloyl]phenyl 4-morpholinecarboxylate
4-morpholinecarboxylic acid [4-bromo-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]phenyl] ester
[ Show all ]
Inchi KeyAFXMPUQPBNHIHU-SNAWJCMRSA-N
Inchi IDInChI=1S/C18H16BrNO4S/c19-13-3-6-17(24-18(22)20-7-9-23-10-8-20)15(12-13)16(21)5-4-14-2-1-11-25-14/h1-6,11-12H,7-10H2/b5-4+
PubChem CID5734364
ChEMBLCHEMBL1502227
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4593Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463441Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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