Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Acetylcaranine
CC(=O)OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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CC(=O)OC1CC=C2CCNC2C1c1cc2c(cc1C(=O)O)OCO2
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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 2
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O=C(O)c1cc2c(cc1C1C(O)CC=C3CCNC31)OCO2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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O=C(O)C1=CC2=C(OCO2)C2OC12C1C(O)CC=C2CCNC21
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epoxidation · 0.00
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation