Substrate
/
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
About this model
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Generation 1
Show metabolites
CCNC12N=C(NC(C)C)N=C(Cl)N1O2
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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
CCNC12N=C(N)N=C(Cl)N1O2
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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 3
Show metabolites
CCNC12N=C(N)NC(Cl)N1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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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 0.27
0.27
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cyanide
Probability 0.25
0.25
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protein
Probability 0.09
0.09
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dna
Probability 0.03
0.03
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