General Information of the Compound
| Compound ID |
CP0403631
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| Compound Name |
2-(4-{2-[1-(5-Cyclohexyl-pentyl)-3-(4-fluoro-phenyl)-ureido]-ethyl}-phenoxy)-2-methyl-propionic acid
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| Structure |
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| Formula |
C30H41FN2O4
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| Molecular Weight |
512.666
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| Canonical SMILES |
CC(C)(Oc1ccc(CCN(CCCCCC2CCCCC2)C(=O)Nc2ccc(F)cc2)cc1)C(O)=O
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| InChI |
InChI=1S/C30H41FN2O4/c1-30(2,28(34)35)37-27-18-12-24(13-19-27)20-22-33(29(36)32-26-16-14-25(31)15-17-26)21-8-4-7-11-23-9-5-3-6-10-23/h12-19,23H,3-11,20-22H2,1-2H3,(H,32,36)(H,34,35)
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| InChIKey |
VVLHLZMVXTZBDF-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: PT03063, Peroxisome proliferator-activated receptor delta
Protein ID: PT02973, Peroxisome proliferator-activated receptor gamma
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma