General Information of the Compound
| Compound ID |
CP0374670
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| Compound Name |
2-(4-{2-[3-(4-Fluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-propionic acid
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| Structure |
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| Formula |
C26H35FN2O4
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| Molecular Weight |
458.574
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| Canonical SMILES |
CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C26H35FN2O4/c1-4-5-6-7-8-18-29(25(32)28-22-13-11-21(27)12-14-22)19-17-20-9-15-23(16-10-20)33-26(2,3)24(30)31/h9-16H,4-8,17-19H2,1-3H3,(H,28,32)(H,30,31)
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| InChIKey |
JZVKMPJMTAXOBC-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: PT01919, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT03063, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT02973, Peroxisome proliferator-activated receptor gamma