entacapone (comtan) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

305.286

ALogP

1.78

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCN(CC)C(=O)C(\C#N)=C\C1=CC(O)=C(O)C(=C1)[N+]([O-])=O
  • InChIKey: JRURYQJSLYLRLN-BJMVGYQFSA-N
    1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL953   ChEMBL
entacapone

4975G9NM6T   NCATS
entacapone *

Entacapone   Wikipedia

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