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
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
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
Show metabolites
NC1=C(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(N=Nc3cc(S(=O)(=O)O)ccc3O)c(O)c2C2OC12
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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
0.00
quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
0.00