Bisegliptin Report issue

Small molecule Experimental
AACT DrugBank

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Chemistry

Mol. Mass

351.42

ALogP

1.69

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCOC(=O)C12CCC(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)(CC1)CC2
  • InChIKey: AKFNKZFJBFQFAA-DIOPXHOYSA-N
    InChI=1S/C18H26FN3O3/c1-2-25-16(24)17-3-6-18(7-4-17,8-5-17)21-11-15(23)22-12-13(19)9-14(22)10-20/h13-14,21H,2-9,11-12H2,1H3/t13-,14-,17?,18?/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297624   ChEMBL
bisegliptin

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