General Information of the Compound
| Compound ID |
CP0388785
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| Compound Name |
1-[[2-[[[4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenyl]methyl]pyrrole-2-carboxylic acid
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| Structure |
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| Formula |
C21H18F3N3O4
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| Molecular Weight |
433.386
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| Canonical SMILES |
OC(=O)c1cccn1Cc1ccccc1CNC(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C21H18F3N3O4/c22-21(23,24)31-17-9-7-16(8-10-17)26-20(30)25-12-14-4-1-2-5-15(14)13-27-11-3-6-18(27)19(28)29/h1-11H,12-13H2,(H,28,29)(H2,25,26,30)
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| InChIKey |
ZKZSAHPJTPQXFM-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: PT00915, Peroxisome proliferator-activated receptor gamma