Substrate
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Generation 1
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Generation 2
XenoSite
Aporphine
CN1CCc2cccc3c2C1Cc1ccccc1-3
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
CNC1Cc2ccccc2-c2cccc(CC=O)c21
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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
Show metabolites
C=NC1Cc2ccccc2-c2cccc(CC=O)c21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
protein
Probability 0.49
0.49
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glutathionation
Probability 0.44
0.44
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dna
Probability 0.23
0.23
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cyanide
Probability 0.05
0.05
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