General Information of the Compound
| Compound ID |
CP0869286
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| Compound Name |
2-(4-((5-isopropyl-2-(4-(trifluoromethyl)phenyl)-2H-1,2,3-triazol-4-yl)methylthio)-2-methylphenoxy)acetic acid
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| Structure |
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| Formula |
C22H22F3N3O3S
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| Molecular Weight |
465.497
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| Canonical SMILES |
Cc1cc(SCc2nn(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)ccc1OCC(=O)O
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| InChI |
InChI=1S/C22H22F3N3O3S/c1-13(2)21-18(12-32-17-8-9-19(14(3)10-17)31-11-20(29)30)26-28(27-21)16-6-4-15(5-7-16)22(23,24)25/h4-10,13H,11-12H2,1-3H3,(H,29,30)
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| InChIKey |
IOQLUKKUILBLAV-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