General Information of the Compound
| Compound ID |
CP0399672
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| Compound Name |
2-{2-methyl-4-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid
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| Structure |
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| Formula |
C19H15F3N2O3S2
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| Molecular Weight |
440.468
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| Canonical SMILES |
Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
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| InChI |
InChI=1S/C19H15F3N2O3S2/c1-11-8-14(6-7-15(11)27-9-17(25)26)28-10-16-23-18(24-29-16)12-2-4-13(5-3-12)19(20,21)22/h2-8H,9-10H2,1H3,(H,25,26)
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| InChIKey |
BHZIXCXGFDVCEL-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