Substrate
/
Generation 1
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Generation 2
XenoSite
Astemizole
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
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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
O=C1C=CC(=CCNCCC(CCO)Nc2nc3ccccc3n2Cc2ccc(F)cc2)C=C1
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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
Select a metabolite to form the next generation.
hydrogenation
Probability 0.43
0.43
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dealkylation
Probability 0.19
0.19
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dealkylation
Probability 0.19
0.19
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dealkylation
Probability 0.19
0.19
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dealkylation
Probability 0.19
0.19
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Showing 5 of 114 metabolites
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