General Information of the Compound
| Compound ID |
CP0570173
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| Compound Name |
2-[4-[[3-ethoxy-5-[(E)-2-(4-ethoxyphenyl)ethenyl]phenoxy]methyl]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C27H27FO6
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| Molecular Weight |
466.505
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| Canonical SMILES |
CCOc1ccc(\C=C\c2cc(OCC)cc(OCc3ccc(OCC(O)=O)c(F)c3)c2)cc1
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| InChI |
InChI=1S/C27H27FO6/c1-3-31-22-10-7-19(8-11-22)5-6-20-13-23(32-4-2)16-24(14-20)33-17-21-9-12-26(25(28)15-21)34-18-27(29)30/h5-16H,3-4,17-18H2,1-2H3,(H,29,30)/b6-5+
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| InChIKey |
ZUXZFCBTVFNOJR-AATRIKPKSA-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