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(CCNCCc1ccc(N)cc1)(CC(=O)O)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(CC(=O)O)(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(CC(=O)O)(C(=O)O)C2=CC3OC3C=C2)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 0.42
0.42
glutathionation
Probability 0.37
0.37
dna
Probability 0.36
0.36
dna
Probability 0.25
0.25
protein
Probability 0.17
0.17
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