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Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

267.24

ALogP

-2.56

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
  • InChIKey: JFIWEPHGRUDAJN-DYUFWOLASA-N
    InChI=1S/C11H13N3O5/c1-2-11(18)6(5-15)19-9(8(11)16)14-4-3-7(12)13-10(14)17/h1,3-4,6,8-9,15-16,18H,5H2,(H2,12,13,17)/t6-,8+,9-,11-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL573352   ChEMBL
tas-106

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