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Name | UNII-AIS8N3O50B |
---|---|
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]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone |
Molecular weight | 407.453 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | 1452539-75-1 Methanone, (5-(4,6-dimethyl-2-pyrimidinyl)hexahydropyrrolo(3,4-C)pyrrol-2(1H)-yl)(2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)- AIS8N3O50B CHEMBL3586436 2-(4,6-Dimethylpyrimidin-2-yl)-5-((2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)carbonyl)octahydropyrrolo(3,4-C)pyrrole [ Show all ] |
Inchi Key | SQOCEMCKYDVLMM-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)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ |
PubChem CID | 86278359 |
ChEMBL | CHEMBL3586436 |
IUPHAR | N/A |
BindingDB | 50092814 |
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 |
---|---|---|---|---|---|
502513 | Orexin receptor type 1 | O43613 | HCRTR1 | Homo sapiens (Human) | 425 |
502511 | Orexin receptor type 2 | O43614 | HCRTR2 | Homo sapiens (Human) | 444 |
502512 | Orexin receptor type 2 | P56719 | Hcrtr2 | Rattus norvegicus (Rat) | 460 |
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