cts-1027 Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

425.89

ALogP

3.21

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
  • InChIKey: ROSNVSQTEGHUKU-UHFFFAOYSA-N
    InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL440498   ChEMBL
cts-1027

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