General Information of the Compound
| Compound ID |
CP0525416
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| Compound Name |
1-[2,4-dihydroxy-6-[(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]-3-methylbutan-1-one
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| Structure |
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| Formula |
C20H20N2O6
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| Molecular Weight |
384.388
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| Canonical SMILES |
CC(C)CC(=O)c1c(O)cc(O)cc1OCc1c(no[n+]1[O-])-c1ccccc1
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| InChI |
InChI=1S/C20H20N2O6/c1-12(2)8-16(24)19-17(25)9-14(23)10-18(19)27-11-15-20(21-28-22(15)26)13-6-4-3-5-7-13/h3-7,9-10,12,23,25H,8,11H2,1-2H3
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| InChIKey |
IBNCTUYUYWIPHP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound