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2417548-76-4

Name Ibrutinib Impurity 14
CAS 2417548-76-4
Molecular Formula C50H48N12O4
Molecular Weight 880.99
MOL File 2417548-76-4.mol
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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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