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Ligand

Name6-Acetylmorphine
Molecular formulaC19H21NO4
IUPAC name[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
Molecular weight327.38
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.3
Synonyms6-Acetylmorphine, 100 mug/mL solution, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material
CHEMBL592009
Morphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-17-methyl-, 6-acetate (8CI)
YMorphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)-, 6-acetate (9CI)
6-O-Monoacetylmorphine
[ Show all ]
Inchi KeyJJGYGPZNTOPXGV-SSTWWWIQSA-N
Inchi IDInChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
PubChem CID5462507
ChEMBLN/A
IUPHARN/A
BindingDB224020
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
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GLASS IDNameUniProtGeneSpeciesLength
525882Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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