Substrate
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Generation 1
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Generation 2
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Generation 3
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
NC(=O)N1CC[NH+](CCCC(c2ccc(F)cc2)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
NC(=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 3
Show metabolites
NC(=O)N1CC[NH+](CCCC(C2=CC3OC3(F)C=C2)C2=CC(=O)C(F)=CC2=O)CC1
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quinone formation · 0.00
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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cc2)c2ccc(F)cc2)CC1 Epoxidation 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%22330.1%22%20height%3D%22197.5%22%20viewBox%3D%2280.0%2017.2%20330.1%20197.5%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_742bbd799e%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22368.2%22%20cy%3D%2260.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22266.1%22%20cy%3D%22172.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22296.7%22%20cy%3D%2283.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22282.1%22%20cy%3D%2299.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22169.6%22%20cy%3D%2255.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22182.8%22%20cy%3D%2296.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22155.0%22%20cy%3D%2271.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22161.6%22%20cy%3D%2292.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22119.3%22%20cy%3D%2282.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22212.0%22%20cy%3D%2264.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22254.3%22%20cy%3D%2273.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22233.2%22%20cy%3D%2269.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22190.8%22%20cy%3D%2259.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22197.4%22%20cy%3D%2280.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22140.4%22%20cy%3D%2287.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22275.5%22%20cy%3D%2278.4%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22125.8%22%20cy%3D%22103.4%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22317.9%22%20cy%3D%2287.7%22%20style%3D%22fill%3Argb(246%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22267.5%22%20cy%3D%22115.1%22%20style%3D%22fill%3Argb(246%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22311.3%22%20cy%3D%2267.0%22%20style%3D%22fill%3Argb(246%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22288.7%22%20cy%3D%22119.7%22%20style%3D%22fill%3Argb(246%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22339.0%22%20cy%3D%2292.3%22%20style%3D%22fill%3Argb(241%2C246%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22325.9%22%20cy%3D%2251.0%22%20style%3D%22fill%3Argb(241%2C246%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22252.9%22%20cy%3D%22131.1%22%20style%3D%22fill%3Argb(241%2C246%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22295.3%22%20cy%3D%22140.4%22%20style%3D%22fill%3Argb(241%2C246%2C255)%22%2F%3E%3Ccircle%20r%3D%2210.7%22%20cx%3D%22353.6%22%20cy%3D%2276.3%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2210.7%22%20cx%3D%22347.1%22%20cy%3D%2255.6%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2210.7%22%20cx%3D%22259.5%22%20cy%3D%22151.8%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2210.7%22%20cx%3D%22280.7%22%20cy%3D%22156.4%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22353.6%22%20cy%3D%2276.3%22%20style%3D%22fill%3Argb(0%2C142%2C186)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22347.1%22%20cy%3D%2255.6%22%20style%3D%22fill%3Argb(0%2C142%2C186)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22259.5%22%20cy%3D%22151.8%22%20style%3D%22fill%3Argb(0%2C142%2C186)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22280.7%22%20cy%3D%22156.4%22%20style%3D%22fill%3Argb(0%2C142%2C186)%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_742bbd799e%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_742bbd799e%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_742bbd799e%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_742bbd799e%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m113.5%2077.5l15%2013.6%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m126.9%2089.7l-4.6%2021.1%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m130.6%2090.5l-4.6%2021.1%22%2F%3E%3Cpath%20cl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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%22331.7%22%20height%3D%22202.3%22%20viewBox%3D%2268.3%2023.8%20331.7%20202.3%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_80f7d90728%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22370.0%22%20cy%3D%22169.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22352.0%22%20cy%3D%22152.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22358.2%22%20cy%3D%22127.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22327.9%22%20cy%3D%22158.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22279.5%22%20cy%3D%22172.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22255.4%22%20cy%3D%22179.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22237.3%22%20cy%3D%22161.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22213.2%22%20cy%3D%22168.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22195.2%22%20cy%3D%22151.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22116.5%22%20cy%3D%22196.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2298.3%22%20cy%3D%22165.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22219.8%22%20cy%3D%2253.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22309.8%22%20cy%3D%22141.3%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22321.7%22%20cy%3D%22183.2%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22285.7%22%20cy%3D%22148.2%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22297.5%22%20cy%3D%22190.0%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22225.5%22%20cy%3D%22120.0%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22183.3%22%20cy%3D%22109.3%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22128.8%22%20cy%3D%22147.4%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22164.8%22%20cy%3D%22182.4%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22189.5%22%20cy%3D%2285.0%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22231.6%22%20cy%3D%2295.6%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22153.0%22%20cy%3D%22140.5%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22201.3%22%20cy%3D%22126.8%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22213.6%22%20cy%3D%2278.1%22%20style%3D%22fill%3Argb(239%2C245%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22140.7%22%20cy%3D%22189.2%22%20style%3D%22fill%3Argb(138%2C179%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22171.0%22%20cy%3D%22158.0%22%20style%3D%22fill%3Argb(125%2C170%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22122.7%22%20cy%3D%22171.7%22%20style%3D%22fill%3Argb(37%2C102%2C255)%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_80f7d90728%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_80f7d90728%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_80f7d90728%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_80f7d90728%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m366.5%20166.1l-14.5%20-14.1%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m353.6%20153.5l5.3%20-20.9%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m349.9%20152.6l5.3%20-20.9%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-1%20atom-3%22%20d%3D%22m352%20152l-20.6%205.8%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m326.7%20163.2l-5%2020%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m321.7%20183.2l-24.2%206.8%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m297.5%20190l-14.4%20-14%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m276%20173.5l-20.6%205.9%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m255.4%20179.4l-18.1%20-17.6%2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