General Information of the Compound
| Compound ID |
CP0419917
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| Compound Name |
1,2,3-trimethoxy-5-[[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenoxy]methyl]benzene
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| Structure |
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| Formula |
C27H32O7
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| Molecular Weight |
468.546
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| Canonical SMILES |
COc1cc(CCc2ccccc2OCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
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| InChI |
InChI=1S/C27H32O7/c1-28-22-13-18(14-23(29-2)26(22)32-5)11-12-20-9-7-8-10-21(20)34-17-19-15-24(30-3)27(33-6)25(16-19)31-4/h7-10,13-16H,11-12,17H2,1-6H3
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| InChIKey |
XWUDAFOLLUCZET-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