omarigliptin Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

398.44

ALogP

1.14

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2
  • InChIKey: MKMPWKUAHLTIBJ-ISTRZQFTSA-N
    InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105762   ChEMBL
omarigliptin

Omarigliptin   Wikipedia

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