General Information of the Compound
| Compound ID |
CP0871231
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| Compound Name |
{2-Methyl-4-[5-phenyl-2-(4-trifluoromethyl-phenyl)-2H-[1,2,3]triazol-4-ylmethylsulfanyl]-phenoxy}-acetic acid
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| Structure |
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| Formula |
C25H20F3N3O3S
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| Molecular Weight |
499.514
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| Canonical SMILES |
Cc1cc(SCc2nn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccccc2)ccc1OCC(=O)O
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| InChI |
InChI=1S/C25H20F3N3O3S/c1-16-13-20(11-12-22(16)34-14-23(32)33)35-15-21-24(17-5-3-2-4-6-17)30-31(29-21)19-9-7-18(8-10-19)25(26,27)28/h2-13H,14-15H2,1H3,(H,32,33)
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| InChIKey |
YGUIMTQJMJEDCT-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