General Information of the Compound
| Compound ID |
CP0851276
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| Compound Name |
2-(2-methyl-4-((5-methyl-2-(4-(trifluoromethyl)phenyl)-2H-1,2,3-triazol-4-yl)methylthio)phenoxy)propanoic acid
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| Structure |
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| Formula |
C21H20F3N3O3S
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| Molecular Weight |
451.47
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| Canonical SMILES |
Cc1cc(SCc2nn(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC(C)C(=O)O
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| InChI |
InChI=1S/C21H20F3N3O3S/c1-12-10-17(8-9-19(12)30-14(3)20(28)29)31-11-18-13(2)25-27(26-18)16-6-4-15(5-7-16)21(22,23)24/h4-10,14H,11H2,1-3H3,(H,28,29)
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| InChIKey |
RWIRDRJDXHYSRR-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: PT01919, Peroxisome proliferator-activated receptor alpha
Protein ID: PT03063, Peroxisome proliferator-activated receptor delta
Protein ID: PT02973, Peroxisome proliferator-activated receptor gamma