General Information of the Compound
| Compound ID |
CP0546937
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| Compound Name |
2-[3-[2-[1-(6-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]ethoxy]-4-ethylphenyl]acetic acid
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| Structure |
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| Formula |
C24H27ClN2O3S
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| Molecular Weight |
459.011
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| Canonical SMILES |
CCc1ccc(CC(O)=O)cc1OCCC1CCN(CC1)c1nc2ccc(Cl)cc2s1
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| InChI |
InChI=1S/C24H27ClN2O3S/c1-2-18-4-3-17(14-23(28)29)13-21(18)30-12-9-16-7-10-27(11-8-16)24-26-20-6-5-19(25)15-22(20)31-24/h3-6,13,15-16H,2,7-12,14H2,1H3,(H,28,29)
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| InChIKey |
CSDWIBHREUDPME-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