sepantronium Report issue

Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

363.4

ALogP

1.34

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O
  • InChIKey: OTSOOHRUMBRSHZ-UHFFFAOYSA-N
    InChI=1S/C20H19N4O3/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25/h3-8,11H,9-10,12H2,1-2H3/q+1
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2110734   ChEMBL
sepantronium *

CHEMBL2105734   ChEMBL
sepantronium bromide

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