General Information of the Compound
| Compound ID |
CP0518415
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| Compound Name |
2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(2-methoxy-5-methyl-phenyl)-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid
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| Structure |
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| Formula |
C35H38N2O4S
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| Molecular Weight |
582.766
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| Canonical SMILES |
COc1ccc(C)cc1NC(=O)N(CCc1ccc(SC(C)(C)C(O)=O)cc1)CCc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C35H38N2O4S/c1-25-10-19-32(41-4)31(24-25)36-34(40)37(22-20-26-11-15-29(16-12-26)28-8-6-5-7-9-28)23-21-27-13-17-30(18-14-27)42-35(2,3)33(38)39/h5-19,24H,20-23H2,1-4H3,(H,36,40)(H,38,39)
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| InChIKey |
KYTZUDSIEJIRJM-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