rofecoxib (Vioxx) Report issue

Small molecule Withdrawn Priority Review FDA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

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Chemistry

Mol. Mass

392.54

ALogP

3.25

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)(N)CNC(=O)C[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3
  • InChIKey: VXYZBLXGCYNIHP-CAGINOIPSA-N
    InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)/t14-,15?,16?,17?,18?,21+,22-
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL404431   ChEMBL
oz277 *

CHEMBL122   ChEMBL
rofecoxib

CHEMBL570680   ChEMBL
arterolane

0QTW8Z7MCR   NCATS
rofecoxib *

Rofecoxib   Wikipedia

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