Substrate
/
Generation 1
/
Generation 2
XenoSite
Azaperone
O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)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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O=C(CCCN1CCN(C2=NC=CC3OC23)CC1)c1ccc(F)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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O=C(CCCN1CCN(C2=NC=CC3OC23)CC1)C1=CC=C(F)C(=O)C1=O
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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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dehydration
Probability 0.29
0.29
15o
dehydration
Probability 0.29
0.29
hydrogenation
Probability 0.29
0.29
oxygen reduction
Probability 0.29
0.29
dealkylation
Probability 0.28
0.28
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