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Chemistry

Mol. Mass

438.49

ALogP

2.43

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN1CCN(CC1)c2nc(C3=C(C(=O)NC3=O)c4c[nH]c5ccccc45)c6ccccc6n2
  • InChIKey: OAVGBZOFDPFGPJ-UHFFFAOYSA-N
    InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL565612   ChEMBL
sotrastaurin *

CHEMBL2105655   ChEMBL
sotrastaurin acetate

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