General Information of the Compound
| Compound ID |
CP0402025
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| Compound Name |
2-(4-(3-(4-bromophenyl)-5-(4-(trifluoromethyl)phenyl)pent-2-en-4-ynyloxy)-2-methylphenoxy)acetic acid
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| Structure |
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| Formula |
C27H20BrF3O4
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| Molecular Weight |
545.351
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| Canonical SMILES |
Cc1cc(OC\C=C(/C#Cc2ccc(cc2)C(F)(F)F)c2ccc(Br)cc2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C27H20BrF3O4/c1-18-16-24(12-13-25(18)35-17-26(32)33)34-15-14-21(20-6-10-23(28)11-7-20)5-2-19-3-8-22(9-4-19)27(29,30)31/h3-4,6-14,16H,15,17H2,1H3,(H,32,33)/b21-14+
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| InChIKey |
NWQRCIMQYXJWJG-KGENOOAVSA-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