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Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

457.37

ALogP

5.14

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1cc2ncnc3c2cc1OCCCCCN(C)Cc1ccc(Br)cc1N3
  • InChIKey: JXDYOSVKVSQGJM-UHFFFAOYSA-N
    InChI=1S/C22H25BrN4O2/c1-27-8-4-3-5-9-29-21-11-17-19(12-20(21)28-2)24-14-25-22(17)26-18-10-16(23)7-6-15(18)13-27/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,24,25,26)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3109738   ChEMBL
jnj-26483327

CHEMBL3545133   ChEMBL
jnj-26483327

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