tas-109 Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

252.23

ALogP

-1.78

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: N#C[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
  • InChIKey: DCYBPMFXJCWXNB-JWIUVKOKSA-N
    InChI=1S/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8-,9+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL337450   ChEMBL
tas-109

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