Substrate
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Generation 1
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Generation 2
XenoSite
Azure c cation
CNc1ccc2nc3ccc(N)cc3[s+]c2c1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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Thionine(1+)
Nc1ccc2nc3ccc(N)cc3[s+]c2c1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
N=c1ccc2nc3c(sc-2c1)=CC(=[NH2+])C(=O)C=3
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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.
epoxidation
Probability 0.03
0.03
epoxidation
Probability 0.02
0.02
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.00
0.00
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