Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Azure c cation
CNc1ccc2nc3ccc(N)cc3[s+]c2c1
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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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
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N=C1C=Cc2nc3ccc(=[NH2+])cc-3sc2C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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N=C1C(=O)c2sc3cc(=[NH2+])ccc-3nc2C2OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.74
0.74
dna
Probability 0.71
0.71
glutathionation
Probability 0.63
0.63
dna
Probability 0.63
0.63
protein
Probability 0.40
0.40
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