General Information of the Compound
| Compound ID |
CP0374831
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| Compound Name |
2-[4-[[3,5-bis[4-(dimethylamino)phenyl]phenyl]methoxy]-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C32H34N2O4
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| Molecular Weight |
510.634
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1cc(COc2ccc(OCC(O)=O)c(C)c2)cc(c1)-c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C32H34N2O4/c1-22-16-30(14-15-31(22)38-21-32(35)36)37-20-23-17-26(24-6-10-28(11-7-24)33(2)3)19-27(18-23)25-8-12-29(13-9-25)34(4)5/h6-19H,20-21H2,1-5H3,(H,35,36)
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| InChIKey |
WJMQHSYBNZQVQA-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