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Small molecule Experimental
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Chemistry

Mol. Mass

516.07

ALogP

3.61

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2)CC1
  • InChIKey: YUAALFPUEOYPNX-UHFFFAOYSA-N
    InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2022968   ChEMBL
dubermatinib

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