General Information of the Compound
| Compound ID |
CP0441599
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| Compound Name |
1-(7-(4-isopropylbenzyloxy)-6-hydroxy-4-methoxybenzofuran-5-yl)ethanone
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| Structure |
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| Formula |
C21H22O5
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| Molecular Weight |
354.402
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| Canonical SMILES |
COc1c(C(C)=O)c(O)c(OCc2ccc(cc2)C(C)C)c2occc12
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| InChI |
InChI=1S/C21H22O5/c1-12(2)15-7-5-14(6-8-15)11-26-21-18(23)17(13(3)22)19(24-4)16-9-10-25-20(16)21/h5-10,12,23H,11H2,1-4H3
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| InChIKey |
HTSCHMRLDFRKFC-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