Substrate
/
Generation 1
/
Generation 2
XenoSite
Acetylindoxyl
CC(=O)n1cc(O)c2ccccc21
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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CC(=O)N1c2ccccc2C2(O)OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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OC12OC1Nc1ccccc12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.34
0.34
dealkylation
Probability 0.34
0.34
epoxide opening
Probability 0.20
0.20
epoxide opening
Probability 0.20
0.20
hydroxylation
Probability 0.18
0.18
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