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Small molecule Experimental
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Chemistry

Mol. Mass

545.54

ALogP

3.29

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1
  • InChIKey: QNQZWEGMKJBHEM-UHFFFAOYSA-N
    InChI=1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3617964   ChEMBL
alvelestat

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