General Information of the Compound
| Compound ID |
CP0485323
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| Compound Name |
3-(4-(2-((4-tert-butylbenzyl)(benzo[d]thiazol-2-yl)amino)ethoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C29H32N2O3S
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| Molecular Weight |
488.653
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| Canonical SMILES |
CC(C)(C)c1ccc(CN(CCOc2ccc(CCC(O)=O)cc2)c2nc3ccccc3s2)cc1
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| InChI |
InChI=1S/C29H32N2O3S/c1-29(2,3)23-13-8-22(9-14-23)20-31(28-30-25-6-4-5-7-26(25)35-28)18-19-34-24-15-10-21(11-16-24)12-17-27(32)33/h4-11,13-16H,12,17-20H2,1-3H3,(H,32,33)
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| InChIKey |
FDQATLLJBRABRJ-UHFFFAOYSA-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma