EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C43H48F3N5O5 |
| Net Charge | 0 |
| Average Mass | 771.881 |
| Monoisotopic Mass | 771.36075 |
| SMILES | C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C43H48F3N5O5/c1-29(32-16-11-17-33(26-32)43(44,45)46)47-40(53)36(27-38(52)49-24-20-34(21-25-49)48-22-9-4-10-23-48)50-35(19-18-30-12-5-2-6-13-30)39(41(50)54)51-37(28-56-42(51)55)31-14-7-3-8-15-31/h2-3,5-8,11-19,26,29,34-37,39H,4,9-10,20-25,27-28H2,1H3,(H,47,53)/b19-18+/t29-,35-,36-,37-,39+/m1/s1 |
| InChIKey | ZPKHVQNRKMCYGL-AFAPVMNMSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Applications: | anxiolytic drug Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| srx246 (CHEBI:748792) has role antidepressant (CHEBI:35469) |
| srx246 (CHEBI:748792) has role antipsychotic agent (CHEBI:35476) |
| srx246 (CHEBI:748792) has role anxiolytic drug (CHEBI:35474) |
| srx246 (CHEBI:748792) is a dipeptide (CHEBI:46761) |
| Synonym | Source |
|---|---|
| Srx246 | ChEMBL |
| Citations |
|---|