Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Diclofenac
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
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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2-amino-benzeneacetic acid
Nc1ccccc1CC(=O)O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
NC12C=CC=CC1(CC(=O)O)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Show metabolites
NC12C=CC(=O)C(=O)C1(CC(=O)O)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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 4
Select a metabolite to form the next generation.
dehydration
Probability 0.31
0.31
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dehydration
Probability 0.31
0.31
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15o
hydrogenation
Probability 0.31
0.31
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oxygen reduction
Probability 0.31
0.31
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dehydration
Probability 0.20
0.20
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Showing 5 of 59 metabolites
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