General Information of the Compound
| Compound ID |
CP0546916
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| Compound Name |
4-[[4-(2-butyl-1-benzofuran-3-carbonyl)phenoxy]methyl]benzoic acid
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| Structure |
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| Formula |
C27H24O5
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| Molecular Weight |
428.484
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| Canonical SMILES |
CCCCc1oc2ccccc2c1C(=O)c1ccc(OCc2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C27H24O5/c1-2-3-7-24-25(22-6-4-5-8-23(22)32-24)26(28)19-13-15-21(16-14-19)31-17-18-9-11-20(12-10-18)27(29)30/h4-6,8-16H,2-3,7,17H2,1H3,(H,29,30)
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| InChIKey |
MKSLCIKUHWNNBM-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