Bioactive Compound Details
| BioID | bio197280 |
|---|---|
| Name | ROSIPTOR ACETATE |
| ChEMBL ID | CHEMBL3989953 |
| Molecular Formula | C22H39NO4 |
| Molecular Weight | 381.56 |
| Molecular Weight (Monoisotopic) | 321.2668 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | AQX-1125 acetate|ROSIPTOR ACETATE |
| Smiles | C=C1CC[C@H]2[C@H](CN)[C@@H]([C@@]3(C)CC[C@H](O)C[C@@H]3CO)CC[C@]12C.CC(=O)O |
| Inchi | InChI=1S/C20H35NO2.C2H4O2/c1-13-4-5-17-16(11-21)18(7-9-19(13,17)2)20(3)8-6-15(23)10-14(20)12-22;1-2(3)4/h14-18,22-23H,1,4-12,21H2,2-3H3;1H3,(H,3,4)/t14-,15+,16+,17+,18+,19-,20+;/m1./s1 |
| Inchi Key | CQIBMEIJDDUKHP-BAHZVNHDSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 2.78 |
| Records Key | ['ROSIPTOR ACETATE'] |
| Records Name | ['ROSIPTOR ACETATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
