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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

446.56

ALogP

4.02

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(C4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
  • InChIKey: SGJLSPUSUBJWHO-UHFFFAOYSA-N
    InChI=1S/C25H30N6O2/c1-15-20-14-28-25(29-21-8-7-18(13-27-21)17-9-11-26-12-10-17)30-23(20)31(19-5-3-4-6-19)24(33)22(15)16(2)32/h7-8,13-14,17,19,26H,3-6,9-12H2,1-2H3,(H,27,28,29,30)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4802161   ChEMBL
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