Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Amrinone
Nc1cc(-c2ccncc2)c[nH]c1=O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
O=Nc1cc(-c2ccncc2)c[nH]c1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=Nc1cc(C2=CC=NC(=O)C2=O)c[nH]c1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
Nitroxyl
N=O
CHEBI
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Description
▾
dealkylation · 0.00
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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![O=Nc1cc(C2=CC=NC(=O)C2=O)c[nH]c1=O N-Dealkylation 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%22210.1%22%20height%3D%22146.6%22%20viewBox%3D%2224.9%205.0%20210.1%20146.6%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_80e589d509%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2299.2%22%20cy%3D%2270.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2298.1%22%20cy%3D%2249.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22135.6%22%20cy%3D%2247.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22192.4%22%20cy%3D%2255.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22100.2%22%20cy%3D%2292.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22174.2%22%20cy%3D%2267.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22136.7%22%20cy%3D%2269.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2278.9%22%20cy%3D%2239.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22117.4%22%20cy%3D%2259.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22153.9%22%20cy%3D%2235.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2262.7%22%20cy%3D%2294.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22175.2%22%20cy%3D%2288.9%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22156.0%22%20cy%3D%2278.9%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2280.9%22%20cy%3D%2282.5%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22173.2%22%20cy%3D%2245.5%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2260.6%22%20cy%3D%2250.9%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2261.7%22%20cy%3D%2272.6%22%20style%3D%22fill%3Argb(217%2C231%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22176.3%22%20cy%3D%22110.5%22%20style%3D%22fill%3Argb(189%2C213%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_80e589d509%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_80e589d509%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_80e589d509%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_80e589d509%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m171.2%20116.4l6.9%20-13.5%22%2F%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m174.5%20118.1l6.9%20-13.5%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m179.2%2095l-10.7%20-16.7%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m168.5%2078.3l-25%201.2%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m166.1%2074.7l-20.7%201%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m143.5%2079.5l-13.6%20-21%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m129.9%2058.5l-25%201.2%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m104.9%2059.7l-13.5%20-21.1%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m100.6%2059.9l-11.2%20-17.4%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m91.4%2038.6l-25%201.2%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m66.4%2039.8l-9.3%2017.9%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m68.7%2043.5l-8.2%2015.9%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m57.7%2066.4l10.7%2016.7%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m67.3%2081.3l-9.7%2018.8%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m70.6%2083l-9.7%2018.8%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-9%20atom-11%22%20d%3D%22m68.4%2083.1l25%20-1.2%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m91.3%2082l11.3%2017.6%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m94.4%2080l11.3%2017.6%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-4%20atom-13%22%20d%3D%22m129.9%2058.5l11.5%20-22.3%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-4%20atom-13%22%20d%3D%22m134.2%2058.3l9.5%20-18.4%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m141.4%2036.2l21.5%20-1%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20a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