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Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

447.47

ALogP

3.4

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1
  • InChIKey: LQHDJQIMETZMPH-ZBFHGGJFSA-N
    InChI=1S/C21H24F3N7O/c1-12-28-19(26-2)31-20(29-12)30-16-5-3-4-14(9-16)18(32)27-11-15-7-6-13(10-25)8-17(15)21(22,23)24/h6-8,14,16H,3-5,9,11H2,1-2H3,(H,27,32)(H2,26,28,29,30,31)/t14-,16+/m1/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3818875   ChEMBL
gsk2256294

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