Substrate
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Generation 1
XenoSite
Alectinib cation
CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.[H+]
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C3OC23N1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Select a metabolite to form the next generation.
epoxidation
Probability 0.20
0.20
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dealkylation
Probability 0.10
0.10
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Morpholine
dealkylation
Probability 0.10
0.10
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dealkylation
Probability 0.10
0.10
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dealkylation
Probability 0.10
0.10
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Showing 5 of 99 metabolites
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