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)C1(c2ccccc2)CCN(CCC2=CC3OC3(N)C=C2)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CCOC(=O)C1(C2=CC(=O)C(=O)C=C2)CCN(CCC2=CC3OC3(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 3
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NC12C=CC(CCN3CCC(C(=O)O)(C4=CC(=O)C(=O)C=C4)CC3)=CC1O2
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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.
dna
Probability 0.21
0.21
glutathionation
Probability 0.21
0.21
dna
Probability 0.17
0.17
dna
Probability 0.11
0.11
protein
Probability 0.10
0.10
Showing 5 of 12 metabolites
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