General Information of the Compound
| Compound ID |
CP0564475
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| Compound Name |
4-[2,6-dibromo-4-(2-ethyl-1-benzofuran-3-carbonyl)phenoxy]butanoic acid
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| Structure |
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| Formula |
C21H18Br2O5
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| Molecular Weight |
510.178
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| Canonical SMILES |
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(OCCCC(O)=O)c(Br)c1
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| InChI |
InChI=1S/C21H18Br2O5/c1-2-16-19(13-6-3-4-7-17(13)28-16)20(26)12-10-14(22)21(15(23)11-12)27-9-5-8-18(24)25/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H,24,25)
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| InChIKey |
RZGVVBNUINXTEH-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