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Ibrutinib Impurity 14 Structure

Ibrutinib Impurity 14

Chemical Properties

Density  1.40±0.1 g/cm3(Predicted)
pka 4.92±0.20(Predicted)
InChIKey BDBRPLQKDJWEDP-LQFQNGICSA-N
SMILES C(N1CCC[C@@H](N2C3=C(C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)C(=N)N(CCC(N2CCC[C@@H](N4C5C(C(C6=CC=C(OC7=CC=CC=C7)C=C6)=N4)=C(N)N=CN=5)C2)=O)C=N3)C1)(=O)C=C

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