| PDB CCD ID: | COX |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H14 N2 O3 S |
| 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) |
| InChIKey: | LNPDTQAFDNKSHK-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | Cc1onc(c2ccccc2)c1c3ccc(cc3)[S](N)(=O)=O | | ACDLabs 10.04 | O=S(=O)(N)c3ccc(c2c(onc2c1ccccc1)C)cc3 | | OpenEye OEToolkits 1.5.0 | Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N |
|
| Name: | 4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE;
VALDECOXIB |
| ChEMBL: | CHEMBL865 |
| DrugBank: | DB00580 |
| ZINC: | ZINC000000006694 |
umich.edu