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
Generation 1
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COC12C=CC(CCN3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Tecastemizole
Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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N=C1N=C2C=CC(=O)C=C2N1Cc1ccc(F)cc1
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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 0.59
0.59
glutathionation
Probability 0.55
0.55
protein
Probability 0.40
0.40
protein
Probability 0.40
0.40
dna
Probability 0.39
0.39
Showing 5 of 16 metabolites
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