General Information of the Compound
| Compound ID |
CP0403096
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| Compound Name |
(2S)-3-(4-(3-(butylcarbamothioyloxy)-3-phenylpropyl)phenyl)-2-ethoxypropanoic acid
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| Structure |
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| Formula |
C25H33NO4S
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| Molecular Weight |
443.609
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| Canonical SMILES |
CCCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C25H33NO4S/c1-3-5-17-26-25(31)30-22(21-9-7-6-8-10-21)16-15-19-11-13-20(14-12-19)18-23(24(27)28)29-4-2/h6-14,22-23H,3-5,15-18H2,1-2H3,(H,26,31)(H,27,28)/t22?,23-/m0/s1
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| InChIKey |
JFTBKMDJSWUJRO-WCSIJFPASA-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