General Information of the Compound
| Compound ID |
CP0401246
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| Compound Name |
4-[[2-[2-(3,4-dimethoxyphenyl)ethyl]phenoxy]methyl]-1,2-dimethoxybenzene
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| Structure |
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| Formula |
C25H28O5
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| Molecular Weight |
408.494
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| Canonical SMILES |
COc1ccc(CCc2ccccc2OCc2ccc(OC)c(OC)c2)cc1OC
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| InChI |
InChI=1S/C25H28O5/c1-26-22-13-10-18(15-24(22)28-3)9-12-20-7-5-6-8-21(20)30-17-19-11-14-23(27-2)25(16-19)29-4/h5-8,10-11,13-16H,9,12,17H2,1-4H3
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| InChIKey |
LEJVEIYGKMOKQX-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