General Information of the Compound
| Compound ID |
CP0434129
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| Compound Name |
(S)-3-(4-(3-(benzylcarbamothioyloxy)propyl)phenyl)-2-ethoxypropanoic acid
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| Structure |
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| Formula |
C22H27NO4S
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| Molecular Weight |
401.528
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| Canonical SMILES |
CCO[C@@H](Cc1ccc(CCCOC(=S)NCc2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C22H27NO4S/c1-2-26-20(21(24)25)15-18-12-10-17(11-13-18)9-6-14-27-22(28)23-16-19-7-4-3-5-8-19/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3,(H,23,28)(H,24,25)/t20-/m0/s1
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| InChIKey |
USPTZSXVIKAREO-FQEVSTJZSA-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