tyropanoic acid Report issue

Small molecule Experimental
ChEMBL DrugBank Drug Central MeSH PubChem

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Chemistry

Mol. Mass

641.02

ALogP

4.89

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I
  • InChIKey: YMOXVLQZFAUUKI-UHFFFAOYSA-N
    InChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201261   ChEMBL
tyropanoic acid *

CHEMBL1200899   ChEMBL
tyropanoate sodium

4F05V145YR   NCATS
tyropanic acid *

Tyropanoic acid   Wikipedia

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