General Information of the Compound
| Compound ID |
CP0373952
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| Compound Name |
2-(4-((4-(4-(N,N-Dimethyl)benzamide)-5-(4-(trifluoromethoxy)-phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C29H25F3N2O6S
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| Molecular Weight |
586.588
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| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C29H25F3N2O6S/c1-17-14-22(12-13-23(17)39-16-25(35)36)38-15-24-33-26(18-4-6-20(7-5-18)28(37)34(2)3)27(41-24)19-8-10-21(11-9-19)40-29(30,31)32/h4-14H,15-16H2,1-3H3,(H,35,36)
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| InChIKey |
UVZZYYXZHATSLD-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