General Information of the Compound
| Compound ID |
CP0451516
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| Compound Name |
4-[1-decoxy-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl]-2-methoxyphenol
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| Structure |
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| Formula |
C31H46O6
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| Molecular Weight |
514.703
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| Canonical SMILES |
CCCCCCCCCCOC(C(C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C31H46O6/c1-7-9-10-11-12-13-14-15-19-36-30(25-17-18-26(32)27(22-25)33-4)23(3)37-31-28(34-5)20-24(16-8-2)21-29(31)35-6/h8,17-18,20-23,30,32H,2,7,9-16,19H2,1,3-6H3
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| InChIKey |
HWNPJGWMFAHTOD-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