General Information of the Compound
| Compound ID |
CP0083524
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| Compound Name |
2-(6-(2-((4-(trifluoromethyl)phenoxy)methyl)benzyloxy)benzofuran-3-yl)acetic acid
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| Structure |
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| Formula |
C25H19F3O5
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| Molecular Weight |
456.416
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| Canonical SMILES |
OC(=O)Cc1coc2cc(OCc3ccccc3COc3ccc(cc3)C(F)(F)F)ccc12
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| InChI |
InChI=1S/C25H19F3O5/c26-25(27,28)19-5-7-20(8-6-19)31-13-16-3-1-2-4-17(16)14-32-21-9-10-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30)
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| InChIKey |
VCBLIAOVKZSFHN-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