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Name | CHEMBL3586433 |
---|---|
Molecular formula | C21H22FN7O |
IUPAC name | [(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone |
Molecular weight | 407.453 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | BDBM50092812 ((3aR,6aS)-5-(4,6-Dimethylpyrimidine-2-yl)octahydropyrrolo[3,4-c]pyrrole-2-yl)(2-(2H-1,2,3-triazole-2-yl)-3-fluorophenyl)methanone |
Inchi Key | RQCIXSIWGGVIAE-IYBDPMFKSA-N |
Inchi ID | InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ |
PubChem CID | 122180337 |
ChEMBL | CHEMBL3586433 |
IUPHAR | N/A |
BindingDB | 50092812 |
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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500273 | Orexin receptor type 1 | O43613 | HCRTR1 | Homo sapiens (Human) | 425 |
500272 | Orexin receptor type 2 | O43614 | HCRTR2 | Homo sapiens (Human) | 444 |
500274 | Orexin receptor type 2 | P56719 | Hcrtr2 | Rattus norvegicus (Rat) | 460 |
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