Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
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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Generation 4
Show metabolites
OC12C=CC3=Nc4ccccc4C=CC3=C1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 5
Maximum generation reached — metabolites here can't start another hop.
glucuronidation
Probability 0.98
0.98
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