General Information of the Compound
| Compound ID |
CP0546670
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| Compound Name |
4-[1-(2-butoxyethoxy)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl]-2-methoxyphenol
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| Structure |
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| Formula |
C27H38O7
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| Molecular Weight |
474.594
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| Canonical SMILES |
CCCCOCCOC(C(C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C27H38O7/c1-7-9-13-32-14-15-33-26(21-11-12-22(28)23(18-21)29-4)19(3)34-27-24(30-5)16-20(10-8-2)17-25(27)31-6/h8,11-12,16-19,26,28H,2,7,9-10,13-15H2,1,3-6H3
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| InChIKey |
NZXLYJCCGPQASZ-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