General Information of the Compound
| Compound ID |
CP0399668
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| Compound Name |
1-{2-methyl-4-[({3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-yl}methyl)sulfanyl]phenoxy}cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C23H21F3N2O4S2
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| Molecular Weight |
510.559
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| Canonical SMILES |
Cc1cc(SCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC1(CCCC1)C(O)=O
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| InChI |
InChI=1S/C23H21F3N2O4S2/c1-14-12-17(8-9-18(14)32-22(21(29)30)10-2-3-11-22)33-13-19-27-20(28-34-19)15-4-6-16(7-5-15)31-23(24,25)26/h4-9,12H,2-3,10-11,13H2,1H3,(H,29,30)
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| InChIKey |
VKQSDPFDBIOVSF-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