Substrate
/
Generation 1
XenoSite
Azure c cation
CNc1ccc2nc3ccc(N)cc3[s+]c2c1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
C[NH+]=C1C=C2Sc3cc(N)ccc3N=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.
dealkylation
Probability 0.75
0.75
Formaldehyde
dealkylation
Probability 0.75
0.75
Methanol
dealkylation
Probability 0.75
0.75
dealkylation
Probability 0.75
0.75
Formic acid
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%22103.1%22%20cy%3D%2266.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22168.7%22%20cy%3D%2230.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22190.4%22%20cy%3D%2231.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22168.0%22%20cy%3D%2268.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22189.6%22%20cy%3D%2268.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2281.5%22%20cy%3D%2266.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22157.5%22%20cy%3D%2249.1%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22200.8%22%20cy%3D%2250.0%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22147.1%22%20cy%3D%2230.1%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22212.0%22%20cy%3D%2231.5%22%20style%3D%22fill%3Argb(250%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22124.7%22%20cy%3D%2267.1%22%20style%3D%22fill%3Argb(245%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22146.3%22%20cy%3D%2267.6%22%20style%3D%22fill%3Argb(230%2C239%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22114.3%22%20cy%3D%2248.2%22%20style%3D%22fill%3Argb(228%2C238%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22232.8%22%20cy%3D%2269.4%22%20style%3D%22fill%3Argb(228%2C238%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22211.2%22%20cy%3D%2268.9%22%20style%3D%22fill%3Argb(218%2C232%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22244.0%22%20cy%3D%2250.8%22%20style%3D%22fill%3Argb(178%2C206%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22125.5%22%20cy%3D%2229.7%22%20style%3D%22fill%3Argb(173%2C203%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22233.6%22%20cy%3D%2231.9%22%20style%3D%22fill%3Argb(89%2C144%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_2a9efb301a%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_2a9efb301a%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_2a9efb301a%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_2a9efb301a%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m70.8%2059.8l17.8%2010.8%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m95.7%2070.8l18.3%20-10.2%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m114%2060.6l0.5%20-24.9%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m117.8%2058.6l0.4%20-20.7%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m114.5%2035.7l21.9%20-12.1%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m136.4%2023.6l21.4%2013%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m136.3%2028l17.7%2010.7%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m157.8%2036.6l18.4%20-10.1%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m183.2%2026.7l17.8%2010.8%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m181.2%2029.9l16.1%209.7%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m201%2037.5l21.9%20-12.1%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m222.9%2025.4l21.4%2013%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m222.8%2029.8l17.7%2010.6%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m244.3%2038.4l-0.5%2024.9%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m243.8%2063.3l17.8%2010.8%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-10%20atom-12%22%20d%3D%22m243.8%2063.3l-21.9%2012.1%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-10%20atom-12%22%20d%3D%22m240.1%2061.1l-18.1%209.9%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m221.9%2075.4l-21.4%20-13%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m200.5%2062.4l-14.8%208.2%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m196.8%2060.2l-12.9%207.1%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m175.5%2072.6l-18.2%20-11.1%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-15%20atom-16%22%20d%3D%22m157.3%2061.5l-21.9%2012.1%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-15%20atom-16%22%20d%3D%22m153.6%2059.3l-18.1%2010%22%2F%3E%3Cpath%20class%3D%22bond-16%20atom-16%20atom-2%22%20d%3D%22m135.4%2073.6l-21.4%20-13%22%2F%3E%3Cpath%20class%3D%22bond-17%20atom-15%20atom-5%22%20d%3D%22m157.3%2061.5l0.5%20-24.9%22%2F%3E%3Cpath%20class%3D%22bond-18%20atom-13%20atom-7%22%20d%3D%22m200.5%2062.4l0.5%20-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![C[NH+]=C1C=C2Sc3cc(N)ccc3N=C2C2OC12 N-Dealkylation 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