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Name | BDBM50271870 |
---|---|
Molecular formula | C18H34N3+ |
IUPAC name | (3S,6R)-3-methyl-7-[(4-methylcyclohexyl)methyl]-6-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-7-ium |
Molecular weight | 292.491 |
Hydrogen bond acceptor | 0 |
Hydrogen bond donor | 1 |
XlogP | 3.6 |
Synonyms | (3S,6R)-6-Isobutyl-3-methyl-7-(4-methyl-cyclohexylmethyl)-2,5,6,7-tetrahydro-3H-imidazo[1,2-a]imidazol-1-ium |
Inchi Key | APOUUTUFHCRHAM-ODZFXCKXSA-O |
Inchi ID | InChI=1S/C18H33N3/c1-13(2)9-17-12-20-15(4)10-19-18(20)21(17)11-16-7-5-14(3)6-8-16/h13-17H,5-12H2,1-4H3/p+1/t14?,15-,16?,17+/m0/s1 |
PubChem CID | 44586544 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50271870 |
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 |
---|---|---|---|---|---|
11189 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
11190 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
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