Atuzabrutinib Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

539.62

ALogP

5.67

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1
  • InChIKey: KZMQPYCXSAGLTB-ZWUNQBBJSA-N
    InChI=1S/C30H30FN7O2/c1-30(2,3)15-19(16-32)29(39)37-13-7-8-20(17-37)38-28-25(27(33)34-18-35-28)26(36-38)23-12-11-22(14-24(23)31)40-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20H,7-8,13,17H2,1-3H3,(H2,33,34,35)/b19-15+/t20-/m1/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4114766   ChEMBL
atuzabrutinib

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