General Information of the Compound
| Compound ID |
CP0403706
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| Compound Name |
3-[3-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidin-1-yl]benzoic acid
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| Structure |
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| Formula |
C24H25ClN2O2S
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| Molecular Weight |
440.996
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| Canonical SMILES |
Cc1nc(sc1CCC1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H25ClN2O2S/c1-16-22(30-23(26-16)18-8-10-20(25)11-9-18)12-7-17-4-3-13-27(15-17)21-6-2-5-19(14-21)24(28)29/h2,5-6,8-11,14,17H,3-4,7,12-13,15H2,1H3,(H,28,29)
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| InChIKey |
OFOQPLMAAIZWAR-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma