General Information of the Compound
| Compound ID |
CP0535251
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| Compound Name |
(E)-3-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C24H30O3
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| Molecular Weight |
366.501
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| Canonical SMILES |
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(\C=C\C(O)=O)c(C)c1
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| InChI |
InChI=1S/C24H30O3/c1-5-13-24(14-6-2,21-10-11-22(25)18(4)16-21)20-9-7-19(17(3)15-20)8-12-23(26)27/h7-12,15-16,25H,5-6,13-14H2,1-4H3,(H,26,27)/b12-8+
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| InChIKey |
YPWSUKLQSYIZJD-XYOKQWHBSA-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