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Name | CHEMBL187071 |
---|---|
Molecular formula | C22H23F3N8O |
IUPAC name | 2-(furan-2-yl)-7-N-methyl-7-N-[2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine |
Molecular weight | 472.476 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | BDBM50152242 SCHEMBL5654046 2-Furan-2-yl-N*7*-methyl-N*7*-{2-[4-(2,4,6-trifluoro-phenyl)-piperazin-1-yl]-ethyl}-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine |
Inchi Key | AWZBLJMDHCKOOF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H23F3N8O/c1-30(18-13-19-27-21(17-3-2-10-34-17)29-33(19)22(26)28-18)4-5-31-6-8-32(9-7-31)20-15(24)11-14(23)12-16(20)25/h2-3,10-13H,4-9H2,1H3,(H2,26,28) |
PubChem CID | 11351928 |
ChEMBL | CHEMBL187071 |
IUPHAR | N/A |
BindingDB | 50152242 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
16472 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
16471 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
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