Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Aceclofenac
O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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O=C(O)COC(=O)CC1=CC2OC2C=C1Nc1c(Cl)cccc1Cl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C(O)COC(=O)CC1=CC2OC2C=C1NC1=C(Cl)C(=O)C=CC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C1C=CC(=O)C(Cl)=C1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
protein
Probability 0.85
0.85
glutathionation
Probability 0.76
0.76
protein
Probability 0.72
0.72
glutathionation
Probability 0.67
0.67
dna
Probability 0.52
0.52
Showing 5 of 12 metabolites
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