denagliptin Report issue

Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

373.38

ALogP

2.89

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)C(c1ccc(F)cc1)c1ccc(F)cc1
  • InChIKey: URRAHSMDPCMOTH-LNLFQRSKSA-N
    InChI=1S/C20H18F3N3O/c21-14-5-1-12(2-6-14)18(13-3-7-15(22)8-4-13)19(25)20(27)26-11-16(23)9-17(26)10-24/h1-8,16-19H,9,11,25H2/t16-,17-,19-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2110666   ChEMBL
denagliptin *

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