General Information of the Compound
| Compound ID |
CP0461700
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| Compound Name |
3-(4-(2-((4-(trifluoromethyl)benzyl)(benzo[d]thiazol-2-yl)amino)ethoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C26H23F3N2O3S
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| Molecular Weight |
500.542
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| Canonical SMILES |
OC(=O)CCc1ccc(OCCN(Cc2ccc(cc2)C(F)(F)F)c2nc3ccccc3s2)cc1
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| InChI |
InChI=1S/C26H23F3N2O3S/c27-26(28,29)20-10-5-19(6-11-20)17-31(25-30-22-3-1-2-4-23(22)35-25)15-16-34-21-12-7-18(8-13-21)9-14-24(32)33/h1-8,10-13H,9,14-17H2,(H,32,33)
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| InChIKey |
HSSMYARAMDCPNL-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