General Information of the Compound
| Compound ID |
CP0444352
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| Compound Name |
(2R)-3-(4-(3-((4-tert-butylbenzyl)carbamothioyloxy)-3-phenylpropyl)phenyl)-2-ethoxypropanoic acid
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| Structure |
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| Formula |
C32H39NO4S
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| Molecular Weight |
533.734
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| Canonical SMILES |
CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccc(cc2)C(C)(C)C)c2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C32H39NO4S/c1-5-36-29(30(34)35)21-24-13-11-23(12-14-24)17-20-28(26-9-7-6-8-10-26)37-31(38)33-22-25-15-18-27(19-16-25)32(2,3)4/h6-16,18-19,28-29H,5,17,20-22H2,1-4H3,(H,33,38)(H,34,35)/t28?,29-/m1/s1
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| InChIKey |
RJBMVGPWWMWGNI-YPJJGMIRSA-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