Bioactive Compound Details
| BioID | bio200537 |
|---|---|
| Name | OCAROCOXIB |
| ChEMBL ID | CHEMBL1290459 |
| Molecular Formula | C12H6F6O4 |
| Molecular Weight | 328.16 |
| Molecular Weight (Monoisotopic) | 328.017 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | OCAROCOXIB |
| Smiles | O=C(O)C1=Cc2cc(OC(F)(F)F)ccc2OC1C(F)(F)F |
| Inchi | InChI=1S/C12H6F6O4/c13-11(14,15)9-7(10(19)20)4-5-3-6(22-12(16,17)18)1-2-8(5)21-9/h1-4,9H,(H,19,20) |
| Inchi Key | CSOISVJKLBMNCK-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 0.19 |
| Records Key | ['6e', 'OCAROCOXIB'] |
| Records Name | ['6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid', 'OCAROCOXIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
