General Information of the Compound
| Compound ID |
CP0397604
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| Compound Name |
2-methyl-2-[4-[3-[4-[(E)-3-phenylprop-2-enoyl]phenoxy]propyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C28H28O5
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| Molecular Weight |
444.527
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| Canonical SMILES |
CC(C)(Oc1ccc(CCCOc2ccc(cc2)C(=O)\C=C\c2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C28H28O5/c1-28(2,27(30)31)33-25-15-10-22(11-16-25)9-6-20-32-24-17-13-23(14-18-24)26(29)19-12-21-7-4-3-5-8-21/h3-5,7-8,10-19H,6,9,20H2,1-2H3,(H,30,31)/b19-12+
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| InChIKey |
KZPLJPWJYILVEI-XDHOZWIPSA-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