General Information of the Compound
| Compound ID |
CP0496876
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| Compound Name |
3-((5-acetyl-6-hydroxy-7-methoxybenzofuran-4-yloxy)methyl)benzoic acid
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| Structure |
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| Formula |
C19H16O7
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| Molecular Weight |
356.33
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| Canonical SMILES |
COc1c(O)c(C(C)=O)c(OCc2cccc(c2)C(O)=O)c2ccoc12
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| InChI |
InChI=1S/C19H16O7/c1-10(20)14-15(21)18(24-2)17-13(6-7-25-17)16(14)26-9-11-4-3-5-12(8-11)19(22)23/h3-8,21H,9H2,1-2H3,(H,22,23)
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| InChIKey |
NUQNGPOVZFAVSZ-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