Substrate
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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)C(CCO)(CCNCCc1ccc(N)cc1)c1ccccc1
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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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Nc1ccc(CCNCCC(CCO)(C(=O)O)c2ccccc2)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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Nc1ccc(CCNCCC(CCO)(C(=O)O)C2=CC=CC3OC23)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 0.60
0.60
glutathionation
Probability 0.49
0.49
dna
Probability 0.40
0.40
dna
Probability 0.31
0.31
protein
Probability 0.20
0.20
Showing 5 of 8 metabolites
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