General Information of the Compound
| Compound ID |
CP0848377
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| Compound Name |
2-(2-methyl-4-((5-(trifluoromethyl)-2-(4-(trifluoromethyl)phenyl)-2H-1,2,3-triazol-4-yl)methylthio)phenoxy)acetic acid
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| Structure |
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| Formula |
C20H15F6N3O3S
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| Molecular Weight |
491.413
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| Canonical SMILES |
Cc1cc(SCc2nn(-c3ccc(C(F)(F)F)cc3)nc2C(F)(F)F)ccc1OCC(=O)O
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| InChI |
InChI=1S/C20H15F6N3O3S/c1-11-8-14(6-7-16(11)32-9-17(30)31)33-10-15-18(20(24,25)26)28-29(27-15)13-4-2-12(3-5-13)19(21,22)23/h2-8H,9-10H2,1H3,(H,30,31)
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| InChIKey |
HJNCGNDHFDNZLL-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