| BioID | bio200418 |
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| Name | ETORICOXIB |
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| ChEMBL ID | CHEMBL416146 |
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| Molecular Formula | C18H15ClN2O2S |
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| Molecular Weight | 358.85 |
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| Molecular Weight (Monoisotopic) | 358.0543 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | ARCOXIA|ETORICOXIB|L-791456|MK-0663 |
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| Smiles | Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1 |
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| Inchi | InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3 |
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| Inchi Key | MNJVRJDLRVPLFE-UHFFFAOYSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 112.0 |
|---|
| Bioactivities | 245.0 |
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| Np Likeness Score | -1.31 |
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| Records Key | ['Etoricoxib', '4', 'Etoricoxib', 'Etoricoxib', 'Etoricoxib', 'Etoricoxib', 'etoricoxib', 'etoricoxib', 'ETORICOXIB', 'Etoricoxib', 'Etoricoxib', 'Etoricoxib', 'Etoricoxib', 'ETORICOXIB', '33', 'SID170465621', 'Etoricoxib', 'Etoricoxib', 'ETORICOXIB', 'Etox', 'Etoricoxib', 'SID26758000', 'ETORICOXIB', 'Etoricoxib', 'SID144205759', 'Etoricoxib', 'Etoricoxib', 'ETORICOXIB', 'Etoricoxib', 'Etoricoxib', 'Etoricoxib', '28', 'Etoricoxib', 'Etoricoxib', '3', 'COVC-2285313876', 'etoricoxib', '40', 'Etoricoxib', 'Etoricoxib', 'BA1001131'] |
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| Records Name | [5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl", 'Etoricoxib', '5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine', 'Etoricoxib', "5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[2,3'']bipyridinyl", "5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl", 'etoricoxib', '5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine', 'ETORICOXIB', 'Etoricoxib', 'Etoricoxib', 'Etoricoxib', "5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl", 'ETORICOXIB', "5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl", 'SID170465621', "5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl", "5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl", 'ETORICOXIB', 'Etoricoxib', 'Etoricoxib', 'SID26758000', 'ETORICOXIB', 'Etoricoxib', 'SID144205759', 'Etoricoxib', 'Etoricoxib', 'ETORICOXIB', 'Etoricoxib', 'Etoricoxib', 'Etoricoxib', 'Etoricoxib', 'Etoricoxib', 'Etoricoxib', 'Etoricoxib', 'ETORICOXIB', 'etoricoxib', 'Etoricoxib', 'Etoricoxib', 'Etoricoxib', 'ETORICOXIB']" |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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