Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Amiodaronum
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
Show metabolites
CCCCC12Oc3ccccc3C1(C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
CCCCC12Oc3ccccc3C1(C(=O)c1cc(I)c(OCCNCC)c(I)c1)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
Show metabolites
Diaethylamin
CCNCC
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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.
dealkylation
Probability 0.63
0.63
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(11c)acetic acid
dealkylation
Probability 0.63
0.63
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An oxidized polyvinyl alcohol
dealkylation
Probability 0.63
0.63
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Ethylamine
dealkylation
Probability 0.63
0.63
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A polyvinyl alcohol
hydroxylation
Probability 0.06
0.06
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Showing 5 of 13 metabolites
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