General Information of the Compound
| Compound ID |
CP0448850
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| Compound Name |
2-fluoro-5-[4-(3-hydroxy-2-methyl-4-propanoylphenoxy)butoxy]benzoic acid
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| Structure |
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| Formula |
C21H23FO6
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| Molecular Weight |
390.407
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| Canonical SMILES |
CCC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
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| InChI |
InChI=1S/C21H23FO6/c1-3-18(23)15-7-9-19(13(2)20(15)24)28-11-5-4-10-27-14-6-8-17(22)16(12-14)21(25)26/h6-9,12,24H,3-5,10-11H2,1-2H3,(H,25,26)
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| InChIKey |
RFEQZFYDZPGTDR-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