Substrate
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Generation 1
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Generation 2
XenoSite
Aristada
CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
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CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(C45C=CC=C(Cl)C4(Cl)O5)CC3)cc21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
OC12C=CC=C(Cl)C1(Cl)O2
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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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.22
0.22
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dealkylation
Probability 0.12
0.12
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hydroxylation
Probability 0.10
0.10
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hydrogenation
Probability 0.09
0.09
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epoxidation
Probability 0.08
0.08
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Showing 5 of 30 metabolites
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