General Information of the Compound
| Compound ID |
CP0495586
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| Compound Name |
2-methyl-2-[4-[3-(4-phenoxyphenoxy)propyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C25H26O5
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| Molecular Weight |
406.478
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| Canonical SMILES |
CC(C)(Oc1ccc(CCCOc2ccc(Oc3ccccc3)cc2)cc1)C(O)=O
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| InChI |
InChI=1S/C25H26O5/c1-25(2,24(26)27)30-23-12-10-19(11-13-23)7-6-18-28-20-14-16-22(17-15-20)29-21-8-4-3-5-9-21/h3-5,8-17H,6-7,18H2,1-2H3,(H,26,27)
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| InChIKey |
CCMXOJVKRSVMCK-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