General Information of the Compound
| Compound ID |
CP0374833
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| Compound Name |
2-[4-[[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C30H25F3O5
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| Molecular Weight |
522.519
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(COc2ccc(OCC(O)=O)c(C)c2)cc(c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H25F3O5/c1-19-13-27(11-12-28(19)38-18-29(34)35)37-17-20-14-23(21-3-7-25(8-4-21)30(31,32)33)16-24(15-20)22-5-9-26(36-2)10-6-22/h3-16H,17-18H2,1-2H3,(H,34,35)
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| InChIKey |
RYYBNANZDICNDH-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