parecoxib Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

370.43

ALogP

3.53

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1
  • InChIKey: TZRHLKRLEZJVIJ-UHFFFAOYSA-N
    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)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1206690   ChEMBL
parecoxib *

CHEMBL296913   ChEMBL
parecoxib sodium

Parecoxib   Wikipedia

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