Retagliptin Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

464.37

ALogP

2.41

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2
  • InChIKey: WIIAMRXFUJLYEF-SNVBAGLBSA-N
    InChI=1S/C19H18F6N4O3/c1-32-17(31)16-14-8-28(2-3-29(14)18(27-16)19(23,24)25)15(30)6-10(26)4-9-5-12(21)13(22)7-11(9)20/h5,7,10H,2-4,6,8,26H2,1H3/t10-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297435   ChEMBL
retagliptin

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