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Name | 6-Acetylmorphine |
---|---|
Molecular formula | C19H21NO4 |
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 weight | 327.38 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 1.3 |
Synonyms | Monoacetylmorphine O6-Acetylmorphine 6-Acetylmorphine 0.1 mg/ml in Acetonitrile 7,8-Didehydro-4,5alpha-epoxy-17-methylmorphinan-3,6alpha-diol 6-acetate CHEBI:2168 [ Show all ] |
Inchi Key | JJGYGPZNTOPXGV-SSTWWWIQSA-N |
Inchi ID | InChI=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 CID | 5462507 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 224020 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
525882 | Mas-related G-protein coupled receptor member X2 | Q96LB1 | MRGPRX2 | Homo sapiens (Human) | 330 |
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