Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Antazoline
c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
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
Toluene
Cc1ccccc1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
CC12C=CC=CC1O2
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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 3
Show metabolites
Formaldehyde
C=O
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 4
Select a metabolite to form the next generation.
hydrogenation
Probability 0.44
0.44
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Methanol
hydroxylation
Probability 0.01
0.01
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Formic acid
dehydration
Probability 0.00
0.00
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Tennesine hydride
dehydration
Probability 0.00
0.00
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15o
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