Substrate
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Generation 1
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
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
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hydrolysis
Probability 0.21
0.21
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Dibenzazepine
hydrolysis
Probability 0.21
0.21
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Carbonic acid
hydrolysis
Probability 0.21
0.21
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Formic acid
dealkylation
Probability 0.03
0.03
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Dibenzazepine
dealkylation
Probability 0.03
0.03
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Carbonic acid
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