General Information of the Compound
| Compound ID |
CP0540130
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| Compound Name |
4-[4-(4-acetyl-3-hydroxy-2-methylphenoxy)butoxy]-3-methoxybenzoic acid
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| Structure |
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| Formula |
C21H24O7
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| Molecular Weight |
388.416
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| Canonical SMILES |
COc1cc(ccc1OCCCCOc1ccc(C(C)=O)c(O)c1C)C(O)=O
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| InChI |
InChI=1S/C21H24O7/c1-13-17(9-7-16(14(2)22)20(13)23)27-10-4-5-11-28-18-8-6-15(21(24)25)12-19(18)26-3/h6-9,12,23H,4-5,10-11H2,1-3H3,(H,24,25)
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| InChIKey |
GVGMDPZYUHZPRH-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