General Information of the Compound
| Compound ID |
CP0436602
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| Compound Name |
1,6-bis(5-acetyl-4-ethoxy-7-methoxybenzofuran-6-yloxy)hexane
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| Structure |
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| Formula |
C32H38O10
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| Molecular Weight |
582.646
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| Canonical SMILES |
CCOc1c(C(C)=O)c(OCCCCCCOc2c(OC)c3occc3c(OCC)c2C(C)=O)c(OC)c2occc12
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| InChI |
InChI=1S/C32H38O10/c1-7-37-25-21-13-17-41-27(21)31(35-5)29(23(25)19(3)33)39-15-11-9-10-12-16-40-30-24(20(4)34)26(38-8-2)22-14-18-42-28(22)32(30)36-6/h13-14,17-18H,7-12,15-16H2,1-6H3
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| InChIKey |
NSGVYWGJBZPVKA-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