General Information of the Compound
| Compound ID |
CP0494688
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| Compound Name |
1-(7-(3-nitrobenzyloxy)-6-hydroxy-4-methoxybenzofuran-5-yl)ethanone
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| Structure |
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| Formula |
C18H15NO7
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| Molecular Weight |
357.318
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| Canonical SMILES |
COc1c(C(C)=O)c(O)c(OCc2cccc(c2)[N+]([O-])=O)c2occc12
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| InChI |
InChI=1S/C18H15NO7/c1-10(20)14-15(21)18(17-13(6-7-25-17)16(14)24-2)26-9-11-4-3-5-12(8-11)19(22)23/h3-8,21H,9H2,1-2H3
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| InChIKey |
YQJJVDMMQACJSA-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