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Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

491.53

ALogP

4.16

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccccc1Oc2c(NS(=O)(=O)\C=C\c3ccccc3)nc(nc2OC)c4ncccn4
  • InChIKey: LONWRQOYFPYMQD-DTQAZKPQSA-N
    InChI=1S/C24H21N5O5S/c1-32-18-11-6-7-12-19(18)34-20-21(29-35(30,31)16-13-17-9-4-3-5-10-17)27-23(28-24(20)33-2)22-25-14-8-15-26-22/h3-16H,1-2H3,(H,27,28,29)/b16-13+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107760   ChEMBL
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