| BioID | bio199707 |
|---|
| Name | CIMICOXIB |
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| ChEMBL ID | CHEMBL435381 |
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| Molecular Formula | C16H13ClFN3O3S |
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| Molecular Weight | 381.82 |
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| Molecular Weight (Monoisotopic) | 381.035 |
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| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | CIMALGEX|CIMICOXIB|CIMICOXIB (EMA EPAR: VETERINARY)|Cimalgex |
|---|
| Smiles | COc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F |
|---|
| Inchi | InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23) |
|---|
| Inchi Key | KYXDNECMRLFQMZ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 5.0 |
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| Bioactivities | 20.0 |
|---|
| Np Likeness Score | -1.58 |
|---|
| Records Key | ['51f', 'CIMICOXIB', '4', '4 (Cimicoxib)', 'CIMICOXIB', '31; UR-8880', 'CIMICOXIB'] |
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| Records Name | ['4-[4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-imidazol-1-yl]-benzenesulfonamide', 'CIMICOXIB', 'cimicoxib', '4-[4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-imidazol-1-yl]-benzenesulfonamide', 'CIMICOXIB', 'Cimicoxib; Cimalgex', 'CIMICOXIB'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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