General Information of the Compound
| Compound ID |
CP0405641
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| Compound Name |
(2S)-2-ethoxy-3-(4-(3-phenyl-3-(propylcarbamothioyloxy)propyl)phenyl)propanoic acid
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| Structure |
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| Formula |
C24H31NO4S
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| Molecular Weight |
429.582
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| Canonical SMILES |
CCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C24H31NO4S/c1-3-16-25-24(30)29-21(20-8-6-5-7-9-20)15-14-18-10-12-19(13-11-18)17-22(23(26)27)28-4-2/h5-13,21-22H,3-4,14-17H2,1-2H3,(H,25,30)(H,26,27)/t21?,22-/m0/s1
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| InChIKey |
YPMQGWDAIMUHGN-KEKNWZKVSA-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: PT00915, Peroxisome proliferator-activated receptor gamma