Substrate
/
Generation 1
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
Generation 2
Select a metabolite to form the next generation.
dealkylation
Probability 0.16
0.16
dealkylation
Probability 0.16
0.16
dealkylation
Probability 0.01
0.01
dealkylation
Probability 0.00
0.00
((sup 13)n)ammonia
dealkylation
Probability 0.00
0.00
Showing 5 of 7 metabolites
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%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22117.3%22%20cy%3D%2254.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22172.2%22%20cy%3D%2238.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22152.6%22%20cy%3D%2229.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2260.5%22%20cy%3D%2248.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2262.4%22%20cy%3D%2269.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22191.8%22%20cy%3D%2247.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22136.9%22%20cy%3D%2263.3%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22156.5%22%20cy%3D%2272.4%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2297.7%22%20cy%3D%2245.1%22%20style%3D%22fill%3Argb(244%2C248%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2299.6%22%20cy%3D%2266.6%22%20style%3D%22fill%3Argb(244%2C248%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22135.0%22%20cy%3D%2241.8%22%20style%3D%22fill%3Argb(227%2C237%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22174.1%22%20cy%3D%2260.0%22%20style%3D%22fill%3Argb(218%2C232%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2278.2%22%20cy%3D%2236.0%22%20style%3D%22fill%3Argb(136%2C178%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2282.0%22%20cy%3D%2279.0%22%20style%3D%22fill%3Argb(136%2C178%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_cd95732b15%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_cd95732b15%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_cd95732b15%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_cd95732b15%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m180.1%2087.4l-11.2%20-16.1%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m168.9%2071.3l-24.9%202.2%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m166.4%2067.8l-20.5%201.8%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m144%2073.5l-14.3%20-20.4%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m129.7%2053.1l-24.8%202.2%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m104.9%2055.3l-14.3%20-20.4%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m100.6%2055.7l-11.9%20-16.8%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m90.6%2034.9l-24.9%202.2%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m65.7%2037.1l-8.4%2018.3%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m68.2%2040.7l-7.6%2016.3%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m58.3%2064.1l11.2%2016%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m69.5%2080.1l24.9%20-2.2%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m71.4%2076.2l20.5%20-1.8%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-3%20atom-10%22%20d%3D%22m129.7%2053.1l10.5%20-22.6%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-3%20atom-10%22%20d%3D%22m134%2052.8l8.7%20-18.7%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m140.2%2030.5l21.4%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m168.1%2032.7l11.3%2016%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m178.5%2050.7l21.8%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m178.1%2047l21.9%20-2%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-12%20atom-1%22%20d%3D%22m179.4%2048.7l-10.5%2022.6%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-9%20atom-4%22%20d%3D%22m94.4%2077.9l10.5%20-22.6%22%2F%3E%3Cpath%20d%3D%22m145.3%2073.4l-1.3%200.1%20l-0.7%20-1%22%2F%3E%3Cpath%20d%3D%22m91.3%2036l-0.7%20-1.1%20l-1.3%200.1%22%2F%3E%3Cpath%20d%3D%22m67%2037l-1.3%200.1%20l-0.4%200.9%22%2F%3E%3Cpath%20d%3D%22m69%2079.3l0.5%200.8%20l1.3%20-0.1%22%2F%3E%3Cpath%20d%3D%22m93.1%2078.1l1.3%20-0.2%20l0.5%20-1.1%22%2F%3E%3Cpath%20d%3D%22m139.7%2031.7l0.5%20-1.2%20l1.1%20-0.1%22%2F%3E%3Cpath%20d%3D%22m178.8%2047.9l0.6%200.8%20l-0.5%201.2%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_cd95732b15%22%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%20181.6%2088.2%20L%20183.9%2091.9%20Q%20184.2%2092.3%2C%20184.5%2093.0%20Q%20184.9%2093.7%2C%20184.9%2093.7%20L%20184.9%2088.2%20L%20185.9%2088.2%20L%20185.9%2095.3%20L%20184.9%2095.3%20L%20182.4%2091.2%20Q%20182.1%2090.7%2C%20181.8%2090.2%20Q%20181.5%2089.6%2C%20181.4%2089.4%20L%20181.4%2095.3%20L%20180.5%2095.3%20L%20180.5%2088.2%20L%20181.6%2088.2%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![Nc1cc(C23C=CN=CC2O3)c[nH]c1=O N-Dealkylation 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