General Information of the Compound
Compound ID |
CP0578281
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Compound Name |
3-[[4-(2-ethyl-1-benzofuran-3-carbonyl)phenoxy]methyl]benzoic acid
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Structure |
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Formula |
C25H20O5
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Molecular Weight |
400.43
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Canonical SMILES |
CCc1oc2ccccc2c1C(=O)c1ccc(OCc2cccc(c2)C(O)=O)cc1
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InChI |
InChI=1S/C25H20O5/c1-2-21-23(20-8-3-4-9-22(20)30-21)24(26)17-10-12-19(13-11-17)29-15-16-6-5-7-18(14-16)25(27)28/h3-14H,2,15H2,1H3,(H,27,28)
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InChIKey |
GBOFFMIAQODQII-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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PubChem ID |
Map of Molecular Bioactivity Related to the Compound
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