Substrate
/
Generation 1
XenoSite
Azabenzimidazole
c1cnc2nc[nH]c2c1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
C1=Nc2nc[nH]c2C2OC12
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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.
quinone formation
Probability 0.00
0.00
quinone formation
Probability 0.00
0.00
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![C1=Nc2nc[nH]c2C2OC12 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%22148.3%22%20height%3D%22115.2%22%20viewBox%3D%221.1%204.9%20148.3%20115.2%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_d3b28fe8fa%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2282.3%22%20cy%3D%2290.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2239.9%22%20cy%3D%2273.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2250.4%22%20cy%3D%2234.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22119.3%22%20cy%3D%2235.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2231.1%22%20cy%3D%2250.5%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2271.2%22%20cy%3D%2248.5%22%20style%3D%22fill%3Argb(250%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22106.3%22%20cy%3D%2283.7%22%20style%3D%22fill%3Argb(226%2C237%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2295.3%22%20cy%3D%2242.1%22%20style%3D%22fill%3Argb(207%2C225%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2264.8%22%20cy%3D%2272.5%22%20style%3D%22fill%3Argb(192%2C215%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22112.8%22%20cy%3D%2259.7%22%20style%3D%22fill%3Argb(155%2C191%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_d3b28fe8fa%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_d3b28fe8fa%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_d3b28fe8fa%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_d3b28fe8fa%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m106.3%2083.7l-20.5%205.4%22%2F%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m103.3%2080.6l-18.5%204.9%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m78.8%2086.6l-14%20-14.1%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m64.8%2072.5l-21.4%201%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m38.3%2069.4l-7.2%20-18.9%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m41.8%2068l-6.3%20-16.3%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m31.1%2050.5l15.8%20-12.8%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m53.9%2037.1l17.3%2011.4%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m71.2%2048.5l24.1%20-6.4%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m95.3%2042.1l20%20-5.4%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m118.1%2040.2l-5.3%2019.5%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-0%22%20d%3D%22m112.8%2059.7l-6.5%2024%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-6%20atom-2%22%20d%3D%22m71.2%2048.5l-6.4%2024%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-6%20atom-2%22%20d%3D%22m66.9%2050.1l-5%2018.8%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-9%20atom-7%22%20d%3D%22m112.8%2059.7l-17.5%20-17.6%22%2F%3E%3Cpath%20d%3D%22m105.3%2084l1%20-0.3%20l0.4%20-1.2%22%2F%3E%3Cpath%20d%3D%22m31.4%2051.4l-0.3%20-0.9%20l0.7%20-0.7%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_d3b28fe8fa%22%3E%3Cpath%20class%3D%22atom-1%22%20d%3D%22M%2080.8%2086.6%20L%2083.1%2090.3%20Q%2083.3%2090.7%2C%2083.7%2091.3%20Q%2084.0%2092.0%2C%2084.1%2092.0%20L%2084.1%2086.6%20L%2085.0%2086.6%20L%2085.0%2093.6%20L%2084.0%2093.6%20L%2081.5%2089.5%20Q%2081.3%2089.0%2C%2080.9%2088.5%20Q%2080.6%2087.9%2C%2080.6%2087.8%20L%2080.6%2093.6%20L%2079.6%2093.6%20L%2079.6%2086.6%20L%2080.8%2086.6%20%22%2F%3E%3Cpath%20class%3D%22atom-3%22%20d%3D%22M%2038.4%2070.2%20L%2040.7%2073.9%20Q%2040.9%2074.3%2C%2041.3%2075.0%20Q%2041.6%2075.6%2C%2041.7%2075.7%20L%2041.7%2070.2%20L%2042.6%2070.2%20L%2042.6%2077.2%20L%2041.6%2077.2%20L%2039.2%2073.2%20Q%2038.9%2072.7%2C%2038.6%2072.1%20Q%2038.3%2071.6%2C%2038.2%2071.4%20L%2038.2%2077.2%20L%2037.3%2077.2%20L%2037.3%2070.2%20L%2038.4%2070.2%20%22%2F%3E%3Cpath%20class%3D%22atom-5%22%20d%3D%22M%2048.9%2031.3%20L%2051.2%2035.1%20Q%2051.4%2035.4%2C%2051.8%2036.1%20Q%2052.1%2036.8%2C%2052.1%2036.8%20L%2052.1%2031.3%20L%2053.1%2031.3%20L%2053.1%2038.4%20L%2052.1%2038.4%20L%2049.6%2034.3%20Q%2049.4%2033.8%2C%2049.0%2033.3%20Q%2048.7%2032.7%2C%2048.7%2032.6%20L%2048.7%2038.4%20L%2047.7%2038.4%20L%2047.7%2031.3%20L%2048.9%2031.3%20%22%2F%3E%3Cpath%20class%3D%22atom-5%22%20d%3D%22M%2047.7%2023.6%20L%2048.6%2023.6%20L%2048.6%2026.6%20L%2052.2%2026.6%20L%2052.2%2023.6%2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