celecoxib (celebrex) Report issue

Small molecule Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

381.372

ALogP

3.51

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(N)(=O)=O)C(F)(F)F
  • InChIKey: RZEKVGVHFLEQIL-UHFFFAOYSA-N
    1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL118   ChEMBL
celecoxib

CHEMBL1788385   ChEMBL
tilbroquinol

JCX84Q7J1L   NCATS
celecoxib *

Celecoxib   Wikipedia

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