cimicoxib Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

381.82

ALogP

2.99

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F
  • InChIKey: KYXDNECMRLFQMZ-UHFFFAOYSA-N
    InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL435381   ChEMBL
cimicoxib

Cimicoxib   Wikipedia

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