Brequinar Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

397.36

ALogP

5.85

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-].[Na+]
  • InChIKey: PZOHOALJQOFNTB-UHFFFAOYSA-M
    InChI=1S/C23H15F2NO2.Na/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25;/h2-12H,1H3,(H,27,28);/q;+1/p-1
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL300058   ChEMBL
brequinar sodium

CHEMBL38434   ChEMBL
brequinar

Brequinar   Wikipedia

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