General Information of the Compound
| Compound ID |
CP0378994
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| Compound Name |
3-{3-[3,3-bis-(4-bromo-phenyl)-allyloxy]-phenyl}-acetic acid
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| Structure |
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| Formula |
C23H18Br2O3
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| Molecular Weight |
502.202
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| Canonical SMILES |
OC(=O)Cc1cccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)c1
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| InChI |
InChI=1S/C23H18Br2O3/c24-19-8-4-17(5-9-19)22(18-6-10-20(25)11-7-18)12-13-28-21-3-1-2-16(14-21)15-23(26)27/h1-12,14H,13,15H2,(H,26,27)
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| InChIKey |
XTKJJTSBXITZND-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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma