General Information of the Compound
| Compound ID |
CP0461640
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| Compound Name |
3-[4-(3-hydroxy-2-methyl-4-propanoylphenoxy)butoxy]-2-methylbenzoic acid
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| Structure |
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| Formula |
C22H26O6
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| Molecular Weight |
386.444
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| Canonical SMILES |
CCC(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
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| InChI |
InChI=1S/C22H26O6/c1-4-18(23)17-10-11-20(15(3)21(17)24)28-13-6-5-12-27-19-9-7-8-16(14(19)2)22(25)26/h7-11,24H,4-6,12-13H2,1-3H3,(H,25,26)
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| InChIKey |
IJFQTXCPWGHGAF-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