General Information of the Compound
| Compound ID |
CP0526246
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| Compound Name |
2-(4-methoxyphenyl)-5-[(3-phenylphenyl)methoxy]-1-benzofuran-3-carboxylic acid
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| Structure |
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| Formula |
C29H22O5
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| Molecular Weight |
450.49
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| Canonical SMILES |
COc1ccc(cc1)-c1oc2ccc(OCc3cccc(c3)-c3ccccc3)cc2c1C(O)=O
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| InChI |
InChI=1S/C29H22O5/c1-32-23-12-10-21(11-13-23)28-27(29(30)31)25-17-24(14-15-26(25)34-28)33-18-19-6-5-9-22(16-19)20-7-3-2-4-8-20/h2-17H,18H2,1H3,(H,30,31)
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| InChIKey |
AYGLGGQJDNADTK-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