Substrate
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Generation 1
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Generation 2
XenoSite
Alclofenac
C=CCOc1ccc(CC(=O)O)cc1Cl
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
Propene
C=CC
CHEBI
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Description
▾
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
Show metabolites
C=C(C)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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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.
glutathionation
Probability 0.86
0.86
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protein
Probability 0.32
0.32
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dna
Probability 0.20
0.20
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cyanide
Probability 0.04
0.04
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