Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Atrazine
CCNc1nc(Cl)nc(NC(C)C)n1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
Show metabolites
Deisopropylatrazine
CCNc1nc(N)nc(Cl)n1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
CCNC12N=C(N)N=C(Cl)N1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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 3
Show metabolites
CCNC12N=C(N)N3OC3(Cl)N1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 4
Select a metabolite to form the next generation.
n dealkylation
Probability 0.97
0.97
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n dealkylation
Probability 0.94
0.94
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n dealkylation
Probability 0.90
0.90
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(11c)acetic acid
n dealkylation
Probability 0.90
0.90
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An oxidized polyvinyl alcohol
n dealkylation
Probability 0.90
0.90
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A polyvinyl alcohol
Showing 5 of 13 metabolites
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