octocrylene Report issue

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

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Chemistry

Mol. Mass

361.4767

ALogP

5.77

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C2=CC=CC=C2
  • InChIKey: FMJSMJQBSVNSBF-UHFFFAOYSA-N
    1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201147   ChEMBL
octocrylene

5A68WGF6WM   NCATS
octocrylene *

Octocrylene   Wikipedia

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