Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Azodopa
CN(C)CCc1ccccc1N=Nc1ccc(O)c(O)c1
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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CN(C)CCc1ccccc1N=NC1=CC(=O)C(=O)C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CNCCc1ccccc1N=NC1=CC(=O)C(=O)C=C1
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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
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CNCCc1ccccc1N=NC1=CCC(=O)C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Select a metabolite to form the next generation.
epoxidation
Probability 0.37
0.37
epoxidation
Probability 0.20
0.20
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.01
0.01
Showing 5 of 8 metabolites
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