Substrate
/
Generation 1
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Generation 2
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Generation 3
XenoSite
Anileridine
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1
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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CCOC(=O)C1(c2ccccc2)CCN(CCC2=CC(=O)C(=N)C=C2)CC1
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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 2
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CCOC(=O)C1(c2ccccc2)CCN(CCC2=CCC(=N)C=C2)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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CCOC(=O)C1(c2ccccc2)CCN(CCC23C=CC(=N)CC2O3)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.18
0.18
dna
Probability 0.14
0.14
glutathionation
Probability 0.05
0.05
glutathionation
Probability 0.03
0.03
dna
Probability 0.03
0.03
Showing 5 of 12 metabolites
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