Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
XenoSite
Anileridine
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CCOC(=O)C(CC=O)(CCNCCc1ccc(N)cc1)c1ccccc1
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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)C(CC=O)(CCNCC=C1C=CC(=N)C=C1)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 3
Show metabolites
N=C1C=CC(=CCNCCC(CC=O)(C(=O)O)c2ccccc2)C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Show metabolites
O=CCC(CCNCC=C1C=CC2(C=C1)NO2)(C(=O)O)c1ccccc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 5
Maximum generation reached — metabolites here can't start another hop.
protein
Probability 0.24
0.24
glutathionation
Probability 0.17
0.17
dna
Probability 0.09
0.09
cyanide
Probability 0.07
0.07