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Chemistry

Mol. Mass

357.39

ALogP

0.53

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(Cc3cc(F)ccc3C#N)C1=O
  • InChIKey: IWYJYHUNXVAVAA-OAHLLOKOSA-N
    InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1650443   ChEMBL
trelagliptin *

CHEMBL2105754   ChEMBL
trelagliptin succinate

Trelagliptin   Wikipedia

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