General Information of the Compound
| Compound ID |
CP0391833
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| Compound Name |
3-[5-butoxy-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-N-pentylsulfonylpropanamide
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| Structure |
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| Formula |
C22H31Cl2N3O4S
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| Molecular Weight |
504.48
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)CCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C22H31Cl2N3O4S/c1-3-5-7-13-32(29,30)26-21(28)11-10-19-15-22(31-12-6-4-2)25-27(19)16-17-8-9-18(23)14-20(17)24/h8-9,14-15H,3-7,10-13,16H2,1-2H3,(H,26,28)
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| InChIKey |
MDMHVOVSNBUVRZ-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