General Information of the Compound
| Compound ID |
CP0541485
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| Compound Name |
4-[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]-2-methoxyphenol
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| Structure |
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| Formula |
C31H44O6
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| Molecular Weight |
512.687
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| Canonical SMILES |
COc1cc(ccc1O)C(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(C)Oc1c(OC)cc(CC=C)cc1OC
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| InChI |
InChI=1S/C31H44O6/c1-9-10-22-16-28(34-7)31(29(17-22)35-8)36-21(5)30(23-12-14-25(32)27(18-23)33-6)37-26-15-20(4)11-13-24(26)19(2)3/h9,12,14,16-21,24,26,30,32H,1,10-11,13,15H2,2-8H3/t20-,21?,24+,26-,30?/m1/s1
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| InChIKey |
HMFWYEFLTIOYPR-ZYRDYAQLSA-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