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Small molecule Experimental

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Chemistry

Mol. Mass

400.36

ALogP

4.04

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@H](c1c[nH]c(=O)c2cc(F)c(F)cc12)N(C)C(=O)Nc1ccc(F)c(C#N)c1
  • InChIKey: WKCMLORRPISTPL-SNVBAGLBSA-N
    InChI=1S/C20H15F3N4O2/c1-10(15-9-25-19(28)14-7-18(23)17(22)6-13(14)15)27(2)20(29)26-12-3-4-16(21)11(5-12)8-24/h3-7,9-10H,1-2H3,(H,25,28)(H,26,29)/t10-/m1/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5314907   ChEMBL
ab-836

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