Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Carbamazepine
NC(=O)N1c2ccccc2C=Cc2ccccc21
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
Dibenzazepine
C1=Cc2ccccc2Nc2ccccc21
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Show metabolites
2-hydroxyiminostilbene
Oc1ccc2c(c1)C=Cc1ccccc1N2
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
Show metabolites
OC12C=CC3=C(C=Cc4ccccc4N3)C1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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gsh
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protein
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cyanide
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dna
Generation 4
Select a metabolite to form the next generation.
dna
Probability 0.41
0.41
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glutathionation
Probability 0.36
0.36
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glutathionation
Probability 0.27
0.27
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protein
Probability 0.21
0.21
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protein
Probability 0.12
0.12
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Showing 5 of 8 metabolites
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