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Name | 1,7-dimethyl-8-phenyl-3H-purine-2,6-dione |
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Molecular formula | C13H12N4O2 |
IUPAC name | 1,7-dimethyl-8-phenyl-3H-purine-2,6-dione |
Molecular weight | 256.265 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 1.0 |
Synonyms | ZINC339584 MolPort-002-799-251 AB-323/13887526 CHEMBL324138 1,7-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione [ Show all ] |
Inchi Key | DFJWFVNLYOQXIS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H12N4O2/c1-16-9-10(15-13(19)17(2)12(9)18)14-11(16)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,19) |
PubChem CID | 822305 |
ChEMBL | CHEMBL324138 |
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 |
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58606 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
58607 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
58605 | Adenosine receptor A2b | Q60614 | Adora2b | Mus musculus (Mouse) | 332 |
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