General Information of the Compound
| Compound ID |
CP0035147
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| Compound Name |
2-methyl-2-(2-methyl-4-(3-((2-phenoxy-4-(trifluoromethyl)benzamido)methyl)phenoxy)phenoxy)propanoic acid
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| Structure |
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| Formula |
C32H28F3NO6
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| Molecular Weight |
579.571
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| Canonical SMILES |
Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3Oc3ccccc3)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C32H28F3NO6/c1-20-16-25(13-15-27(20)42-31(2,3)30(38)39)40-24-11-7-8-21(17-24)19-36-29(37)26-14-12-22(32(33,34)35)18-28(26)41-23-9-5-4-6-10-23/h4-18H,19H2,1-3H3,(H,36,37)(H,38,39)
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| InChIKey |
KJSHBUOTUBSIJB-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