nox-100 Report issue

Small molecule Experimental
AACT DrugBank

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Chemistry

Mol. Mass

293.34

ALogP

-2.43

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=S)[S-].[Na+]
  • InChIKey: PLQRBFAACWRSKF-LJTMIZJLSA-M
    InChI=1S/C8H17NO5S2.Na/c1-9(8(15)16)2-4(11)6(13)7(14)5(12)3-10;/h4-7,10-14H,2-3H2,1H3,(H,15,16);/q;+1/p-1/t4-,5+,6+,7+;/m0./s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297472   ChEMBL
nox-100

CHEMBL4301787   ChEMBL
nox-100

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