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Small molecule Experimental
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Chemistry

Mol. Mass

454.54

ALogP

3.79

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21
  • InChIKey: NVVPMZUGELHVMH-UHFFFAOYSA-N
    InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3661115   ChEMBL
tas-116

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