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Small molecule Experimental

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Chemistry

Mol. Mass

400.5

ALogP

3.53

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COCCCOc1cccc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OCC4)c1C
  • InChIKey: JYSIFLQJDVIWKM-UHFFFAOYSA-N
    InChI=1S/C21H24N2O4S/c1-14-16(5-3-6-19(14)26-9-4-8-25-2)13-28(24)21-22-17-11-15-7-10-27-20(15)12-18(17)23-21/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H,22,23)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4651083   ChEMBL
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