Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Astemizole
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)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
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Generation 1
Show metabolites
COc1ccc(CCNCCC(CCO)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
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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
COC12C=CC(CCNCCC(CCO)Nc3nc4ccccc4n3Cc3ccc(F)cc3)=CC1O2
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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
NCCC(CCO)Nc1nc2ccccc2n1Cc1ccc(F)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 4
Select a metabolite to form the next generation.
n dealkylation
Probability 0.53
0.53
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n dealkylation
Probability 0.53
0.53
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n dealkylation
Probability 0.53
0.53
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n dealkylation
Probability 0.40
0.40
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((sup 13)n)ammonia
n dealkylation
Probability 0.40
0.40
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Showing 5 of 11 metabolites
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