Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Bathophenanthroline disulfonic acid
O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)O)cc4)ccnc23)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=S(=O)(O)c1ccc(C2=c3ccc4c(-c5ccc(S(=O)(=O)O)cc5)ccnc4c3=NC3OC23)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1N=c2c(ccc3c2=NC2OC2C=3c2ccc(S(=O)(=O)O)cc2)=C(c2ccc(S(=O)(=O)O)cc2)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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N=C1C2=NC(=O)C(=O)C(c3ccc(S(=O)(=O)O)cc3)=C2C=CC1=C(c1ccc(S(=O)(=O)O)cc1)C1OC1O
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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 0.50
0.50
protein
Probability 0.36
0.36
glutathionation
Probability 0.31
0.31
glutathionation
Probability 0.07
0.07
dna
Probability 0.04
0.04
Showing 5 of 8 metabolites
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