spiradoline Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

425.4

ALogP

4.56

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCC2(CCCO2)CC1N1CCCC1
  • InChIKey: NYKCGQQJNVPOLU-UHFFFAOYSA-N
    InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL118865   ChEMBL
spiradoline

Spiradoline   Wikipedia

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