pg-530742 Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

501.56

ALogP

1.4

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(CC#CCN3CCOCC3)C(=O)O)cc2)cc1
  • InChIKey: JAYVKNDQKXUNOJ-UHFFFAOYSA-N
    InChI=1S/C24H27N3O7S/c1-33-20-9-5-18(6-10-20)23(28)25-19-7-11-21(12-8-19)35(31,32)26-22(24(29)30)4-2-3-13-27-14-16-34-17-15-27/h5-12,22,26H,4,13-17H2,1H3,(H,25,28)(H,29,30)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297318   ChEMBL
pg-530742

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