General Information of the Compound
| Compound ID |
CP0381165
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| Compound Name |
2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-cyclohexyl-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid
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| Structure |
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| Formula |
C33H40N2O3S
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| Molecular Weight |
544.761
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| Canonical SMILES |
CC(C)(Sc1ccc(CCN(CCc2ccc(cc2)-c2ccccc2)C(=O)NC2CCCCC2)cc1)C(O)=O
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| InChI |
InChI=1S/C33H40N2O3S/c1-33(2,31(36)37)39-30-19-15-26(16-20-30)22-24-35(32(38)34-29-11-7-4-8-12-29)23-21-25-13-17-28(18-14-25)27-9-5-3-6-10-27/h3,5-6,9-10,13-20,29H,4,7-8,11-12,21-24H2,1-2H3,(H,34,38)(H,36,37)
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| InChIKey |
YPCVJZIGKJSYKB-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