| BioID | bio200428 |
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| Name | VALDECOXIB |
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| ChEMBL ID | CHEMBL865 |
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| Molecular Formula | C16H14N2O3S |
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| Molecular Weight | 314.37 |
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| Molecular Weight (Monoisotopic) | 314.0725 |
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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 | Bextra|NSC-759846|SC-65872|VALDECOXIB|VALDYN |
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| Smiles | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 |
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| Inchi | InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) |
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| Inchi Key | LNPDTQAFDNKSHK-UHFFFAOYSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 215.0 |
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| Bioactivities | 995.0 |
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| Np Likeness Score | -1.33 |
|---|
| Records Key | ['3a (Valdecoxib)', '2', '2', 'SID144204991', 'Valdecoxib', 'VALDECOXIB', 'VLX', 'Valdecoxib', '5', 'VLX', 'VLX', 'VLX', 'VLX', 'VLX', 'VLX', '1', 'valdecoxib', 'SID49665731', '4, Valdecoxib', 'Valdecoxib', 'VLX', 'VLX', 'VLX', 'Valdecoxib', '4, valdecoxib', 'valdecoxib', 'VLX', '3892', '1', 'Valdecoxib', '5 (Valdecoxib)', 'VLX', 'VLX', 'VALDECOXIB', 'Valdecoxib', 'VLX', 'valdecoxib', 'VALDECOXIB', 'VALDECOXIB', 'SID26748964', 'VLX', 'VLX', 'VLX', 'VLX', 'VALDECOXIB', 'VLX', 'Valdecoxib', 'VLX', 'VLX', 'VLX', 'VLX', 'SID170465163', 'VLX', 'VLX', 'VLX', 'Valdecoxib', '303 (Valdecoxib)', '1', 'VALDECOXIB', 'Valdecoxib', 'SAM001246603', '5 (valdecoxib)', 'VALDECOXIB', 'VLX', 'Valdecoxib', 'VLX', 'VLX', 'Valdecoxib', '21', 'VLX', 'VLX', 'VLX', 'VLX', 'VLX', 'VLX', 'Valdecoxib', 'VALDECOXIB', 'VALDECOXIB', 'VALDECOXIB', 'MMV002260', 'VLX', 'VALDECOXIB', 'VLX', 'VLX', 'Valdecoxib', 'Valdecoxib', 'Valdecoxib', '20', 'VLX', 'VLX', 'VLX', 'VLX', 'VALDECOXIB', 'Valdecoxib', 'VALDECOXIB', 'Valdecoxib', 'COVC-2284008736', 'Valdecoxib', 'valdecoxib', 'VALDECOXIB'] |
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| Records Name | ['4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', 'SID144204991', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', 'VALDECOXIB', 'Valdecoxib', 'Valdecoxib', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', 'Valdecoxib', 'valdecoxib', 'Valdecoxib', 'Valdecoxib', 'Valdecoxib', 'Valdecoxib', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', 'valdecoxib', 'SID49665731', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide (Valdecoxib)', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', 'valdecoxib', 'valdecoxib', 'valdecoxib', '4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide', '4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide', '4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide', 'valdecoxib', None, 'valdecoxib', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', '4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide', 'valdecoxib', 'VALDECOXIB', 'Valdecoxib', 'Valdecoxib', 'valdecoxib', 'VALDECOXIB', 'VALDECOXIB', 'SID26748964', 'Valdecoxib', 'valdecoxib', 'Valdecoxib', 'valdecoxib', 'Valdecoxib', 'Valdecoxib', 'Valdecoxib', 'Valdecoxib', 'Valdecoxib', 'valdecoxib', 'valdecoxib', 'SID170465163', 'valdecoxib', 'Valdecoxib', '4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide', 'Valdecoxib', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', 'VALDECOXIB', 'Valdecoxib', 'C0164913', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', 'VALDECOXIB', 'Valdecoxib', '4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide', '4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide', 'valdecoxib', 'Valdecoxib', '4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide', 'Valdecoxib', 'Valdecoxib', 'valdecoxib', 'Valdecoxib', 'Valdecoxib', 'Valdecoxib', 'Valdecoxib', 'VALDECOXIB', 'VALDECOXIB', 'VALDECOXIB', 'C0088630', 'Valdecoxib', 'VALDECOXIB', 'Valdecoxib', 'Valdecoxib', 'Valdecoxib', 'Valdecoxib', 'Valdecoxib', 'Valdecoxib', 'valdecoxib', 'Valdecoxib', '4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide', 'Valdecoxib', 'VALDECOXIB', 'Valdecoxib', 'VALDECOXIB', 'Valdecoxib', 'VALDECOXIB', 'Valdecoxib', 'valdecoxib', 'VALDECOXIB'] |
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| Withdrawn Flag | True |
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| Orphan | 0 |
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