| PDB CCD ID: | PXB |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H18 N2 O4 S |
| InChI: | InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22) |
| InChIKey: | TZRHLKRLEZJVIJ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C(NS(=O)(=O)c3ccc(c2c(onc2c1ccccc1)C)cc3)CC | | OpenEye OEToolkits 1.5.0 | CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(onc2c3ccccc3)C | | CACTVS 3.341 | CCC(=O)N[S](=O)(=O)c1ccc(cc1)c2c(C)onc2c3ccccc3 |
|
| Name: | parecoxib;
N-{[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propanamide |
| ChEMBL: | CHEMBL1206690 |
| DrugBank: | DB08439 |
| ZINC: | ZINC000005761797 |
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