General Information of the Compound
| Compound ID |
CP0440736
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| Compound Name |
4-[4-(3-hydroxy-2-methyl-4-propanoylphenoxy)butoxy]-3-methoxybenzoic acid
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| Structure |
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| Formula |
C22H26O7
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| Molecular Weight |
402.443
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| Canonical SMILES |
CCC(=O)c1ccc(OCCCCOc2ccc(cc2OC)C(O)=O)c(C)c1O
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| InChI |
InChI=1S/C22H26O7/c1-4-17(23)16-8-10-18(14(2)21(16)24)28-11-5-6-12-29-19-9-7-15(22(25)26)13-20(19)27-3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,25,26)
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| InChIKey |
TYLPYGPQYGWMJV-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