General Information of the Compound
| Compound ID |
CP0515829
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| Compound Name |
2-(4-{2-[1-(4-Cyclohexyl-butyl)-3-(3,5-dichloro-phenyl)-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid
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| Structure |
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| Formula |
C29H38Cl2N2O3S
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| Molecular Weight |
565.607
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| Canonical SMILES |
CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O
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| InChI |
InChI=1S/C29H38Cl2N2O3S/c1-29(2,27(34)35)37-26-13-11-22(12-14-26)15-17-33(16-7-6-10-21-8-4-3-5-9-21)28(36)32-25-19-23(30)18-24(31)20-25/h11-14,18-21H,3-10,15-17H2,1-2H3,(H,32,36)(H,34,35)
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| InChIKey |
KPQTVIWBNKRVSR-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