General Information of the Compound
| Compound ID |
CP0546917
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| Compound Name |
4-[[2,6-dibromo-4-(2-ethyl-1-benzofuran-3-carbonyl)phenoxy]methyl]benzoic acid
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| Structure |
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| Formula |
C25H18Br2O5
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| Molecular Weight |
558.222
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| Canonical SMILES |
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(OCc2ccc(cc2)C(O)=O)c(Br)c1
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| InChI |
InChI=1S/C25H18Br2O5/c1-2-20-22(17-5-3-4-6-21(17)32-20)23(28)16-11-18(26)24(19(27)12-16)31-13-14-7-9-15(10-8-14)25(29)30/h3-12H,2,13H2,1H3,(H,29,30)
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| InChIKey |
OHMMCHCSRBDZPC-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