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| Name | ACMC-20b84v |
|---|---|
| Molecular formula | C10H10FNO2 |
| IUPAC name | 5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole |
| Molecular weight | 195.193 |
| Hydrogen bond acceptor | 4 |
| Hydrogen bond donor | 1 |
| XlogP | 1.2 |
| Synonyms | SCHEMBL7173629 CAS_105182-45-4 1H-[1,4]Benzodioxino[2,3-c]pyrrole,5-fluoro-2,3,3a,9a-tetrahydro-, hydrochloride, hydrate (2:1), (3aS-trans)-(9CI) PDSP1_000530 AKOS022644965 [ Show all ] |
| Inchi Key | XSOUHEXVEOQRKJ-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2 |
| PubChem CID | 10219795 |
| ChEMBL | N/A |
| IUPHAR | N/A |
| BindingDB | 85595 |
| 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 |
|---|---|---|---|---|---|
| 399872 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
| 399885 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
| 399873 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
| 399878 | 5-hydroxytryptamine receptor 1B | O08892 | HTR1B | Cavia porcellus (Guinea pig) | 389 |
| 399870 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
| 399881 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
| 557152 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
| 399883 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
| 399869 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
| 399871 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
| 399880 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
| 399875 | Alpha-1D adrenergic receptor | P25100 | ADRA1D | Homo sapiens (Human) | 572 |
| 399874 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
| 399882 | Alpha-2A adrenergic receptor | P22909 | Adra2a | Rattus norvegicus (Rat) | 450 |
| 399884 | Alpha-2B adrenergic receptor | P18089 | ADRA2B | Homo sapiens (Human) | 450 |
| 399876 | Alpha-2C adrenergic receptor | P22086 | Adra2c | Rattus norvegicus (Rat) | 458 |
| 399879 | Alpha-2C adrenergic receptor | P18825 | ADRA2C | Homo sapiens (Human) | 462 |
| 399877 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
| 557153 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
| 399886 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
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