General Information of the Compound
| Compound ID |
CP0396062
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| Compound Name |
2-[3-[[2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoyl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C23H17F3N2O4S
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| Molecular Weight |
474.46
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| Canonical SMILES |
OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(SC(F)(F)F)cc2)c1
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| InChI |
InChI=1S/C23H17F3N2O4S/c24-23(25,26)33-17-10-8-15(9-11-17)21(31)28-19-7-2-1-6-18(19)22(32)27-16-5-3-4-14(12-16)13-20(29)30/h1-12H,13H2,(H,27,32)(H,28,31)(H,29,30)
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| InChIKey |
GJWAWLRBHUSCMC-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: PT01286, Bile acid receptor
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma