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Ligand

NameSMR000066781
Molecular formulaC24H33N3O6
IUPAC nameN-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
Molecular weight459.543
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.3
SynonymsMLS000054847
N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CHEMBL1455428
MLS000864037
AC1MH9K2
[ Show all ]
Inchi KeyAEOGJXIXYQVIDD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H33N3O6/c1-5-31-20-15-18(27-9-12-30-13-10-27)21(32-6-2)14-17(20)25-24(29)22(16(3)4)26-23(28)19-8-7-11-33-19/h7-8,11,14-16,22H,5-6,9-10,12-13H2,1-4H3,(H,25,29)(H,26,28)
PubChem CID2998439
ChEMBLCHEMBL1455428
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3682Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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