Substrate
/
Generation 1
/
Generation 2
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
Generation 1
Show metabolites
Nc1cc(C23C=CN=CC2O3)c[nH]c1=O
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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
Show metabolites
Nc1cc(C2(O)C=CN=CC2O)c[nH]c1=O
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epoxide opening · 0.09
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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![Nc1cc(C23C=CN=CC2O3)c[nH]c1=O stable oxygenation 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%22205.9%22%20height%3D%22121.1%22%20viewBox%3D%2224.1%20-1.0%20205.9%20121.1%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_8d169c0155%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22152.2%22%20cy%3D%2255.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22161.5%22%20cy%3D%2247.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2254.1%22%20cy%3D%2276.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22140.0%22%20cy%3D%2258.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22149.6%22%20cy%3D%2243.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22158.9%22%20cy%3D%2234.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22146.9%22%20cy%3D%2230.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22154.9%22%20cy%3D%2267.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22182.8%22%20cy%3D%2242.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2278.6%22%20cy%3D%2271.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2287.1%22%20cy%3D%2280.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2286.3%22%20cy%3D%2247.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2277.9%22%20cy%3D%2238.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22123.9%22%20cy%3D%2272.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22107.8%22%20cy%3D%2287.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22127.7%22%20cy%3D%2260.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2282.5%22%20cy%3D%2259.5%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2266.4%22%20cy%3D%2274.1%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2295.5%22%20cy%3D%2290.0%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2298.6%22%20cy%3D%2244.9%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22119.3%22%20cy%3D%2251.5%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22190.8%22%20cy%3D%2279.2%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22170.8%22%20cy%3D%2238.6%22%20style%3D%22fill%3Argb(248%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22120.1%22%20cy%3D%2284.7%22%20style%3D%22fill%3Argb(245%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22110.8%22%20cy%3D%2242.2%22%20style%3D%22fill%3Argb(241%2C246%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22169.5%22%20cy%3D%2283.8%22%20style%3D%22fill%3Argb(228%2C238%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22157.6%22%20cy%3D%2280.0%22%20style%3D%22fill%3Argb(217%2C231%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22200.1%22%20cy%3D%2270.8%22%20style%3D%22fill%3Argb(208%2C225%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2269.4%22%20cy%3D%2229.0%22%20style%3D%22fill%3Argb(202%2C222%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22194.7%22%20cy%3D%2246.2%22%20style%3D%22fill%3Argb(192%2C215%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22181.5%22%20cy%3D%2287.7%22%20style%3D%22fill%3Argb(169%2C200%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22197.4%22%20cy%3D%2258.5%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22197.4%22%20cy%3D%2258.5%22%20style%3D%22fill%3Argb(0%2C126%2C210)%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_8d169c0155%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_8d169c0155%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_8d169c0155%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23D55E00%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_8d169c0155%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m72.9%2032.8l13.4%2014.7%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m86.3%2047.5l24.5%20-5.3%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m89.2%2050.8l20.3%20-4.4%22%2F%3E%3Cpath%20class%3D%22bond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![Nc1cc(C23C=CN=CC2O3)c[nH]c1=O unstable oxygenation 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