| BioID | bio200405 |
|---|
| Name | FIROCOXIB |
|---|
| ChEMBL ID | CHEMBL69998 |
|---|
| Molecular Formula | C17H20O5S |
|---|
| Molecular Weight | 336.41 |
|---|
| Molecular Weight (Monoisotopic) | 336.1031 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | Equioxx|FIROCOXIB|FIROCOXIB (EMA EPAR: VETERINARY)|LIBRENS|ML-1,785,713|ML-1785713|NSC-758895|PREVICOX |
|---|
| Smiles | CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1 |
|---|
| Inchi | InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3 |
|---|
| Inchi Key | FULAPETWGIGNMT-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -0.13 |
|---|
| Records Key | ['17', 'FIROCOXIB', 'FIROCOXIB', 'firocoxib', 'FIROCOXIB', 'FIROCOXIB', 'FIROCOXIB', 'FIROCOXIB'] |
|---|
| Records Name | ['3-Cyclopropylmethoxy-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one', 'FIROCOXIB', 'FIROCOXIB', 'firocoxib', 'FIROCOXIB', 'FIROCOXIB', 'FIROCOXIB', 'FIROCOXIB'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
