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Small molecule Experimental
AACT ChEMBL Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

627.83

ALogP

9.48

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1
  • InChIKey: XVAMCHGMPYWHNL-UHFFFAOYSA-N
    InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2104956   ChEMBL
bemotrizinol

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