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Chemistry

Mol. Mass

450.56

ALogP

2.97

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1cc(O)c(cc1OC)C(=O)Nc2nc(cs2)C(=O)NCCN(C(C)C)C(C)C
  • InChIKey: TWHZNAUBXFZMCA-UHFFFAOYSA-N
    InChI=1S/C21H30N4O5S/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107723   ChEMBL
acotiamide *

CHEMBL2107308   ChEMBL
acotiamide hydrochloride

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