Substrate
/
Generation 1
/
Generation 2
XenoSite
Azodibenzene
c1ccc(N=Nc2ccccc2)cc1
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
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C1=CC2OC2(N=Nc2ccccc2)C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C1C=CC(N=NC23C=CC=CC2O3)=CC1=O
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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.
dehydration
Probability 0.53
0.53
15o
dehydration
Probability 0.53
0.53
hydrogenation
Probability 0.53
0.53
oxygen reduction
Probability 0.53
0.53
dehydration
Probability 0.37
0.37
15o
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