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
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
Carbamazepine epoxide
NC(=O)N1c2ccccc2C2OC2c2ccccc21
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
C=CC1=C(C=C=O)C2OC2c2ccccc2N1C(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 0.50
0.50
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n dealkylation
Probability 0.50
0.50
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Carbamic acid
n dealkylation
Probability 0.05
0.05
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n dealkylation
Probability 0.00
0.00
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n dealkylation
Probability 0.00
0.00
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Showing 5 of 6 metabolites
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