General Information of the Compound
| Compound ID |
CP0406631
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| Compound Name |
2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(2,4,5-trimethyl-phenyl)-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid
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| Structure |
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| Formula |
C36H40N2O3S
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| Molecular Weight |
580.794
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| Canonical SMILES |
Cc1cc(C)c(NC(=O)N(CCc2ccc(SC(C)(C)C(O)=O)cc2)CCc2ccc(cc2)-c2ccccc2)cc1C
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| InChI |
InChI=1S/C36H40N2O3S/c1-25-23-27(3)33(24-26(25)2)37-35(41)38(21-19-28-11-15-31(16-12-28)30-9-7-6-8-10-30)22-20-29-13-17-32(18-14-29)42-36(4,5)34(39)40/h6-18,23-24H,19-22H2,1-5H3,(H,37,41)(H,39,40)
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| InChIKey |
HOGWWJJFMIOPET-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