Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Amrubicin
CC(=O)C1(N)Cc2c(O)c3c(c(O)c2C(OC2CC(O)C(O)CO2)C1)C(=O)c1ccccc1C3=O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
CC(=O)C1(N)CC(OC2CC(O)C(O)CO2)=C2C(=O)C3=C(C(=O)c4ccccc4C3=O)C(O)=C2C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
CC(=O)C1(N)CC(OC2CC(O)C(O)CO2)=C2C(=O)C3=C(C(=O)C4=CC5OC5C=C4C3=O)C(O)=C2C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Show metabolites
CC(=O)C1(N)CC(OC2CC(O)C(O)CO2)=C2C(=O)C3=C(C(O)=C2C1)C(O)C1=CC2OC2C=C1C3=O
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hydrogenation · 0.14
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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