General Information of the Compound
| Compound ID |
CP0457054
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| Compound Name |
4-[5-chloro-1-[(2-methyl-1,3-benzothiazol-5-yl)sulfonyl]indol-2-yl]butanoic acid
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| Structure |
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| Formula |
C20H17ClN2O4S2
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| Molecular Weight |
448.953
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| Canonical SMILES |
Cc1nc2cc(ccc2s1)S(=O)(=O)n1c(CCCC(O)=O)cc2cc(Cl)ccc12
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| InChI |
InChI=1S/C20H17ClN2O4S2/c1-12-22-17-11-16(6-8-19(17)28-12)29(26,27)23-15(3-2-4-20(24)25)10-13-9-14(21)5-7-18(13)23/h5-11H,2-4H2,1H3,(H,24,25)
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| InChIKey |
ZHIXNPKWUNYGDX-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