Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Amisulpride
CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
CCN1CCCC1CNC(=O)C12C=C(S(=O)(=O)CC)C(N)=CC1(OC)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
CCNC(CCC(=O)O)CNC(=O)C12C=C(S(=O)(=O)CC)C(N)=CC1(OC)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Show metabolites
CC=NC(CCC(=O)O)CNC(=O)C12C=C(S(=O)(=O)CC)C(N)=CC1(OC)O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 4
Select a metabolite to form the next generation.
hydrolysis
Probability 0.26
0.26
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hydrolysis
Probability 0.26
0.26
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hydrolysis
Probability 0.26
0.26
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epoxidation
Probability 0.15
0.15
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hydrogenation
Probability 0.14
0.14
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Showing 5 of 102 metabolites
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