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Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

339.47

ALogP

4.1

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2
  • InChIKey: DHCOPPHTVOXDKU-UHFFFAOYSA-N
    InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL217899   ChEMBL
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