Substrate
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Generation 1
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Generation 2
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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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
Show metabolites
C=CC=C1C(=C=O)C=Cc2ccccc2N1C(N)=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
C=CC=c1c(=C=O)ccc2cc(=O)ccc-2[n+]1C(N)=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Select a metabolite to form the next generation.
n dealkylation
Probability 0.06
0.06
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n dealkylation
Probability 0.06
0.06
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Carbamic acid
n dealkylation
Probability 0.00
0.00
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n dealkylation
Probability 0.00
0.00
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((sup 13)n)ammonia
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