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Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

437.55

ALogP

3.3

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1
  • InChIKey: ALKJNCZNEOTEMP-UHFFFAOYSA-N
    InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545085   ChEMBL
xl-228

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