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Name | CID 46876053 |
---|---|
Molecular formula | C18H21N7O4 |
IUPAC name | (3R,4S,5R)-2-[6-amino-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
Molecular weight | 399.411 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 5 |
XlogP | 1.3 |
Synonyms | N/A |
Inchi Key | DUVUQYFYWUDDPW-UKDPARRBSA-N |
Inchi ID | InChI=1S/C18H21N7O4/c1-9-2-4-10(5-3-9)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)29-17/h2-6,8,11,13-14,17,26-28H,7H2,1H3,(H3,19,22,23,24)/b21-6+/t11-,13-,14-,17?/m1/s1 |
PubChem CID | 46876053 |
ChEMBL | CHEMBL611571 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
69514 | Adenosine receptor A1 | P47745 | ADORA1 | Cavia porcellus (Guinea pig) | 326 |
69515 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
69513 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
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