General Information of the Compound
| Compound ID |
CP0374565
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| Compound Name |
(2S)-2-ethoxy-3-(4-(3-(ethylcarbamothioyloxy)-3-phenylpropyl)phenyl)propanoic acid
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| Structure |
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| Formula |
C23H29NO4S
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| Molecular Weight |
415.555
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| Canonical SMILES |
CCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(O)=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C23H29NO4S/c1-3-24-23(29)28-20(19-8-6-5-7-9-19)15-14-17-10-12-18(13-11-17)16-21(22(25)26)27-4-2/h5-13,20-21H,3-4,14-16H2,1-2H3,(H,24,29)(H,25,26)/t20?,21-/m0/s1
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| InChIKey |
ZOHQSCNHRHDDJA-LBAQZLPGSA-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