General Information of the Compound
| Compound ID |
CP0495428
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| Compound Name |
N-cyclohexylsulfonyl-3-[2-[(2,4-dichlorophenyl)methyl]-5-propan-2-yloxypyrazol-3-yl]propanamide
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| Structure |
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| Formula |
C22H29Cl2N3O4S
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| Molecular Weight |
502.464
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| Canonical SMILES |
CC(C)Oc1cc(CCC(=O)NS(=O)(=O)C2CCCCC2)n(Cc2ccc(Cl)cc2Cl)n1
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| InChI |
InChI=1S/C22H29Cl2N3O4S/c1-15(2)31-22-13-18(27(25-22)14-16-8-9-17(23)12-20(16)24)10-11-21(28)26-32(29,30)19-6-4-3-5-7-19/h8-9,12-13,15,19H,3-7,10-11,14H2,1-2H3,(H,26,28)
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| InChIKey |
JAKKMZKJZCZODO-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