General Information of the Compound
| Compound ID |
CP0486955
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| Compound Name |
1-(7-(4-(benzyloxy)benzyloxy)-6-hydroxy-4-methoxybenzofuran-5-yl)ethanone
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| Structure |
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| Formula |
C25H22O6
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| Molecular Weight |
418.445
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| Canonical SMILES |
COc1c(C(C)=O)c(O)c(OCc2ccc(OCc3ccccc3)cc2)c2occc12
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| InChI |
InChI=1S/C25H22O6/c1-16(26)21-22(27)25(24-20(12-13-29-24)23(21)28-2)31-15-18-8-10-19(11-9-18)30-14-17-6-4-3-5-7-17/h3-13,27H,14-15H2,1-2H3
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| InChIKey |
PCUJGNURAQMQRC-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