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Small molecule Experimental

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Chemistry

Mol. Mass

508.43

ALogP

3.45

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)cc1OCc1c(OC)ccc(F)c1F
  • InChIKey: BMAAMIIYNNPHAB-UHFFFAOYSA-N
    InChI=1S/C22H15F3N2O7S/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3668014   ChEMBL
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