Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Annomontine
Nc1nccc(-c2nccc3c2[nH]c2ccccc23)n1
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
Show metabolites
N=C(C=CN=C(N)O)c1nccc2c1[nH]c1ccccc12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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N=C(C=CN=C(N)O)C1=NC2OC2c2c1[nH]c1ccccc21
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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
Show metabolites
NC(O)=NC=CC(N)C1=NC2OC2c2c1[nH]c1ccccc21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.76
0.76
glutathionation
Probability 0.69
0.69
dna
Probability 0.62
0.62
dna
Probability 0.42
0.42
protein
Probability 0.38
0.38
Showing 5 of 8 metabolites
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