General Information of the Compound
| Compound ID |
CP0403836
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| Compound Name |
2-Ethoxy-3-[4-methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-phenyl]-propionic acid
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| Structure |
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| Formula |
C21H22F3NO5
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| Molecular Weight |
425.403
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| Canonical SMILES |
CCOC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C21H22F3NO5/c1-3-30-18(20(27)28)11-14-6-9-17(29-2)16(10-14)19(26)25-12-13-4-7-15(8-5-13)21(22,23)24/h4-10,18H,3,11-12H2,1-2H3,(H,25,26)(H,27,28)
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| InChIKey |
BXQUHZRMBBJMQI-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