agomelatine (Valdoxan) Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

243.31

ALogP

2.53

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccc2cccc(CCNC(C)=O)c2c1
  • InChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-N
    InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL10878   ChEMBL
agomelatine

Agomelatine   Wikipedia

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