Substrate
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Generation 1
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Generation 2
XenoSite
Azo-dye hapten
O=S(=O)(O)c1ccc(O)c(N=Nc2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(Nc4ncnc(Nc5ccc6c(O)c(N=Nc7cc(S(=O)(=O)O)ccc7O)c(S(=O)(=O)O)cc6c5S(=O)(=O)O)n4)ccc3c2O)c1
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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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Nc1ccc2c(O)c(N=Nc3cc(S(=O)(=O)O)ccc3O)c(S(=O)(=O)O)cc2c1S(=O)(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Nc1ccc2c(c1S(=O)(=O)O)C1OC1(S(=O)(=O)O)C(N=Nc1cc(S(=O)(=O)O)ccc1O)=C2O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
quinone formation
Probability 0.00
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quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
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quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
0.00
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