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Name | Acetylcodeine |
---|---|
Molecular formula | C20H23NO4 |
IUPAC name | [(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate |
Molecular weight | 341.407 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 1.7 |
Synonyms | 6-Acetylcodeine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material U59401ETXH 7,8-Didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol acetate LS-91913 [(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate [ Show all ] |
Inchi Key | MFXFQKMUCYHPFQ-BKRJIHRRSA-N |
Inchi ID | InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1 |
PubChem CID | 5486550 |
ChEMBL | CHEMBL3092043 |
IUPHAR | N/A |
BindingDB | 224019 |
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 |
---|---|---|---|---|---|
527416 | Mas-related G-protein coupled receptor member X2 | Q96LB1 | MRGPRX2 | Homo sapiens (Human) | 330 |
204482 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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