piromelatine Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

312.33

ALogP

2.1

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)cco3)c2c1
  • InChIKey: PNTNBIHOAPJYDB-UHFFFAOYSA-N
    InChI=1S/C17H16N2O4/c1-22-13-2-3-15-14(9-13)11(10-19-15)4-6-18-17(21)16-8-12(20)5-7-23-16/h2-3,5,7-10,19H,4,6H2,1H3,(H,18,21)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297523   ChEMBL
piromelatine

Piromelatine   Wikipedia

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