Substrate
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Generation 1
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Generation 2
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Generation 3
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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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OC(CCCN1CCN(c2ccccn2)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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OC(CCCN1CCN(C23N=CC=CC2O3)CC1)c1ccc(F)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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O=CCN(CCNCCCC(O)c1ccc(F)cc1)C12N=CC=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
dna
Probability 0.60
0.60
glutathionation
Probability 0.56
0.56
glutathionation
Probability 0.43
0.43
dna
Probability 0.29
0.29
protein
Probability 0.22
0.22
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