General Information of the Compound
| Compound ID |
CP0564603
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| Compound Name |
2-[3-[[2,6-dibromo-4-(2-ethyl-1-benzofuran-3-carbonyl)phenoxy]methyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C26H20Br2O6
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| Molecular Weight |
588.248
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| Canonical SMILES |
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(OCc2cccc(OCC(O)=O)c2)c(Br)c1
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| InChI |
InChI=1S/C26H20Br2O6/c1-2-21-24(18-8-3-4-9-22(18)34-21)25(31)16-11-19(27)26(20(28)12-16)33-13-15-6-5-7-17(10-15)32-14-23(29)30/h3-12H,2,13-14H2,1H3,(H,29,30)
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| InChIKey |
SWRVCFHYPDTXHH-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