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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Generation 1
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Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC(SC(=O)O)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 2
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C=C1C(=O)C(C)=C2CCC(C)(COc3ccc(CC(SC(=O)O)C(N)=O)cc3)OC2=C1C
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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
C=C1C(=O)C(C)=C2CCC(C)(COC34C=CC(CC(SC(=O)O)C(N)=O)=CC3O4)OC2=C1C
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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 4
Select a metabolite to form the next generation.
dehydration
Probability 0.21
0.21
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dehydration
Probability 0.21
0.21
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15o
hydrogenation
Probability 0.21
0.21
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oxygen reduction
Probability 0.21
0.21
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epoxide opening
Probability 0.13
0.13
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Showing 5 of 161 metabolites
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