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
Generation 1
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O=C(CCCN1CCN(c2ccccn2)CC1)C1=CC2OC2(F)C=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1C=CC(=[N+]2CCN(CCCC(=O)C3=CC4OC4(F)C=C3)CC2)N=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
O=C(CCCO)C1=CC2OC2(F)C=C1
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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.
glutathionation
Probability 0.49
0.49
dna
Probability 0.27
0.27
dna
Probability 0.27
0.27
dna
Probability 0.25
0.25
glutathionation
Probability 0.24
0.24
Showing 5 of 16 metabolites
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