chs-828 Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

371.87

ALogP

4.21

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: N#CN=C(NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1
  • InChIKey: BOIPLTNGIAPDBY-UHFFFAOYSA-N
    InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL17289   ChEMBL
chs-828

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