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
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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CCCCc1oc2ccccc2c1C(=O)C1=CC2(I)OC2(OCCN(CC)CC)C(I)=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCCC=c1oc2c(c1C(=O)C1=CC3(I)OC3(OCCN(CC)CC)C(I)=C1)C(=O)C=CC=2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Show metabolites
CCCC=c1oc2c(c1C(=O)C1=CC3(I)OC3(OCC(=O)O)C(I)=C1)C(=O)C=CC=2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 4
Select a metabolite to form the next generation.
hydrogenation
Probability 0.24
0.24
oxidative dehalogenation
Probability 0.23
0.23
oxidative dehalogenation
Probability 0.23
0.23
Hydrogen iodide
dehydration
Probability 0.16
0.16
dehydration
Probability 0.16
0.16
15o
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