aftobetin Report issue

Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

452.55

ALogP

3.96

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COCCOCCOCCOC(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1
  • InChIKey: NRZNTGUFHSJBTD-HKOYGPOVSA-N
    InChI=1S/C26H32N2O5/c1-30-11-12-31-13-14-32-15-16-33-26(29)24(20-27)18-21-5-6-23-19-25(8-7-22(23)17-21)28-9-3-2-4-10-28/h5-8,17-19H,2-4,9-16H2,1H3/b24-18+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2364601   ChEMBL
aftobetin

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