Substrate
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Generation 1
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Generation 2
XenoSite
Amperozide cation
CCNC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CCNC(=O)N1CC[NH+](CCCC(C2=CC3OC3(F)C=C2)c2ccc(F)cc2)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCNC(=O)N1CC[NH+](CCCC(C2=CC3OC3(F)C=C2)=C2C=CC(=O)C=C2)CC1
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quinone formation · 0.00
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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C=C2)c2ccc(F)cc2)CC1 Quinonation prediction](data:image/svg+xml;utf8,%3C%3Fxml%20version%3D%221.0%22%20%3F%3E%3Csvg%20xmlns%3D%22http%3A%2F%2Fwww.w3.org%2F2000%2Fsvg%22%20xmlns%3Axlink%3D%22http%3A%2F%2Fwww.w3.org%2F1999%2Fxlink%22%20version%3D%221.1%22%20baseProfile%3D%22full%22%20xml%3Aspace%3D%22preserve%22%20width%3D%22373.9%22%20height%3D%22206.4%22%20viewBox%3D%2277.7%2025.1%20373.9%20206.4%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_6ce1f55956%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22421.6%22%20cy%3D%22172.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22402.9%22%20cy%3D%22156.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22379.0%22%20cy%3D%22164.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22360.3%22%20cy%3D%22147.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22365.4%22%20cy%3D%22122.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22336.5%22%20cy%3D%22155.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22288.9%22%20cy%3D%22171.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22265.0%22%20cy%3D%22178.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22246.3%22%20cy%3D%22162.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22222.5%22%20cy%3D%22170.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22203.7%22%20cy%3D%22153.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22127.2%22%20cy%3D%22201.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22107.7%22%20cy%3D%22171.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22224.1%22%20cy%3D%2255.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22317.8%22%20cy%3D%22138.6%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22331.4%22%20cy%3D%22179.8%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22307.6%22%20cy%3D%22187.7%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22293.9%22%20cy%3D%22146.5%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22190.1%22%20cy%3D%22112.1%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22232.7%22%20cy%3D%22120.9%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22137.4%22%20cy%3D%22152.4%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22174.8%22%20cy%3D%22185.8%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22237.8%22%20cy%3D%2296.4%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22195.2%22%20cy%3D%2287.5%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22161.2%22%20cy%3D%22144.5%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22208.8%22%20cy%3D%22128.8%22%20style%3D%22fill%3Argb(247%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22219.0%22%20cy%3D%2279.7%22%20style%3D%22fill%3Argb(233%2C241%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22179.9%22%20cy%3D%22161.2%22%20style%3D%22fill%3Argb(107%2C158%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22151.0%22%20cy%3D%22193.7%22%20style%3D%22fill%3Argb(97%2C150%2C255)%22%2F%3E%3Ccircle%20r%3D%229.6%22%20cx%3D%22132.3%22%20cy%3D%22177.0%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22132.3%22%20cy%3D%22177.0%22%20style%3D%22fill%3Argb(0%2C108%2C234)%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22mol_halo%22%20style%3D%22stroke%3Awhite%3Bopacity%3A0.5%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22mol_halo_xeno_6ce1f55956%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_6ce1f55956%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_6ce1f55956%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23000000%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_6ce1f55956%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m421.6%20172.9l-18.7%20-16.7%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m402.9%20156.2l-20.3%206.7%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m375.5%20161l-15.2%20-13.6%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m361.9%20148.9l4.4%20-21.1%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m358.3%20148.1l4.3%20-21.1%22%2F%3E%3Cpath%20class%3D%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