General Information of the Compound
| Compound ID |
CP0544656
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| Compound Name |
5-[(2-bromophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
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| Structure |
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| Formula |
C23H17BrO5
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| Molecular Weight |
453.288
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| Canonical SMILES |
COc1ccc(cc1)-c1oc2ccc(OCc3ccccc3Br)cc2c1C(O)=O
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| InChI |
InChI=1S/C23H17BrO5/c1-27-16-8-6-14(7-9-16)22-21(23(25)26)18-12-17(10-11-20(18)29-22)28-13-15-4-2-3-5-19(15)24/h2-12H,13H2,1H3,(H,25,26)
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| InChIKey |
YYCWCBZWKJJYFI-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