Substrate
/
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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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
Show metabolites
CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCC=O)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
CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=C1C(=O)C(=O)C=C2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
protein
Probability 0.26
0.26
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dna
Probability 0.24
0.24
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glutathionation
Probability 0.18
0.18
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cyanide
Probability 0.00
0.00
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