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
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Generation 1
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O=C(O)N1c2ccccc2C=Cc2ccccc21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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
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O=C(O)N1c2ccccc2C=Cc2ccc(O)cc21
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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.
quinone formation
Probability 0.14
0.14
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quinone formation
Probability 0.14
0.14
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Formic acid
quinone formation
Probability 0.14
0.14
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quinone formation
Probability 0.10
0.10
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quinone formation
Probability 0.10
0.10
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Formic acid
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