General Information of the Compound
| Compound ID |
CP0461938
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| Compound Name |
3-[3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methoxy]piperidin-1-yl]benzoic acid
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| Structure |
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| Formula |
C23H23ClN2O3S
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| Molecular Weight |
442.968
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| Canonical SMILES |
Cc1nc(sc1COC1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H23ClN2O3S/c1-15-21(30-22(25-15)16-7-9-18(24)10-8-16)14-29-20-6-3-11-26(13-20)19-5-2-4-17(12-19)23(27)28/h2,4-5,7-10,12,20H,3,6,11,13-14H2,1H3,(H,27,28)
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| InChIKey |
POVWNJCKOJFNDM-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