Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Troglitazone
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
CHEBI
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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
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC(S)C(=O)NC=O)cc1)O2
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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
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC(S)C(N)=O)cc1)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Show metabolites
Cc1c(C)c2c(c(C)c1O)CCC(C)(COC1=CC=C(CC(S)C(N)=O)C3OC13)O2
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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 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.52
0.52
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dna
Probability 0.43
0.43
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protein
Probability 0.21
0.21
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cyanide
Probability 0.00
0.00
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