imrecoxib Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

369.49

ALogP

3.56

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCN1CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(C)cc2)C1=O
  • InChIKey: AXMZZGKKZDJGAZ-UHFFFAOYSA-N
    InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL504535   ChEMBL
imrecoxib

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