alofanib Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

413.41

ALogP

3.46

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1cc([N+](=O)[O-])c(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1-c1cccnc1
  • InChIKey: QUQGQIASFYWKAB-UHFFFAOYSA-N
    InChI=1S/C19H15N3O6S/c1-12-8-18(22(25)26)17(10-16(12)14-5-3-7-20-11-14)21-29(27,28)15-6-2-4-13(9-15)19(23)24/h2-11,21H,1H3,(H,23,24)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4594436   ChEMBL
alofanib

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