General Information of the Compound
| Compound ID |
CP0489022
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| Compound Name |
4-[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-octoxypropyl]-2-methoxyphenol
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| Structure |
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| Formula |
C29H42O6
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| Molecular Weight |
486.649
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| Canonical SMILES |
CCCCCCCCOC(C(C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C29H42O6/c1-7-9-10-11-12-13-17-34-28(23-15-16-24(30)25(20-23)31-4)21(3)35-29-26(32-5)18-22(14-8-2)19-27(29)33-6/h8,15-16,18-21,28,30H,2,7,9-14,17H2,1,3-6H3
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| InChIKey |
HMPRJWPPAQNILT-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