Bioactive Compound Details
| BioID | bio200433 |
|---|---|
| Name | ROSIPTOR |
| ChEMBL ID | CHEMBL3989954 |
| Molecular Formula | C20H35NO2 |
| Molecular Weight | 321.5 |
| Molecular Weight (Monoisotopic) | 321.2668 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | AQX-1125|AQX-1125 free base|ROSIPTOR |
| 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 |
| Inchi | InChI=1S/C20H35NO2/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/h14-18,22-23H,1,4-12,21H2,2-3H3/t14-,15+,16+,17+,18+,19-,20+/m1/s1 |
| Inchi Key | MDEJTPWQNNMAQF-BVMLLJBZSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 2.78 |
| Records Key | ['ROSIPTOR', 'ROSIPTOR'] |
| Records Name | ['ROSIPTOR', 'ROSIPTOR'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
