General Information of the Compound
| Compound ID |
CP0496240
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| Compound Name |
3-[2-[(2,4-dichlorophenyl)methyl]-5-phenylmethoxypyrazol-3-yl]-N-pentylsulfonylpropanamide
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| Structure |
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| Formula |
C25H29Cl2N3O4S
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| Molecular Weight |
538.497
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)CCc1cc(OCc2ccccc2)nn1Cc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C25H29Cl2N3O4S/c1-2-3-7-14-35(32,33)29-24(31)13-12-22-16-25(34-18-19-8-5-4-6-9-19)28-30(22)17-20-10-11-21(26)15-23(20)27/h4-6,8-11,15-16H,2-3,7,12-14,17-18H2,1H3,(H,29,31)
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| InChIKey |
SLOMYYDFGVUMBJ-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