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Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

466.34

ALogP

5.08

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1ccc(Br)cc1NC(=O)Nc2cccc3c2ccn3Cc4ccnc(N)c4
  • InChIKey: ZXBFYBLSJMEBEP-UHFFFAOYSA-N
    InChI=1S/C22H20BrN5O2/c1-30-20-6-5-15(23)12-18(20)27-22(29)26-17-3-2-4-19-16(17)8-10-28(19)13-14-7-9-25-21(24)11-14/h2-12H,13H2,1H3,(H2,24,25)(H2,26,27,29)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545155   ChEMBL
ji-101

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