General Information of the Compound
| Compound ID |
CP0546461
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| Compound Name |
2-[3-[2-[1-(6-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]ethoxy]-5-methylphenyl]acetic acid
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| Structure |
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| Formula |
C23H25ClN2O3S
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| Molecular Weight |
444.984
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| Canonical SMILES |
Cc1cc(CC(O)=O)cc(OCCC2CCN(CC2)c2nc3ccc(Cl)cc3s2)c1
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| InChI |
InChI=1S/C23H25ClN2O3S/c1-15-10-17(13-22(27)28)12-19(11-15)29-9-6-16-4-7-26(8-5-16)23-25-20-3-2-18(24)14-21(20)30-23/h2-3,10-12,14,16H,4-9,13H2,1H3,(H,27,28)
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| InChIKey |
ZPVDMEPVFBETQM-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: PT03063, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma