General Information of the Compound
| Compound ID |
CP0504039
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| Compound Name |
(E)-3-[2-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)pyrazol-3-yl]-N-(3-methylbutylsulfonyl)prop-2-enamide
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| Structure |
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| Formula |
C22H27ClF3N3O5S
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| Molecular Weight |
537.988
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| Canonical SMILES |
COCCOc1cc(\C=C\C(=O)NS(=O)(=O)CCC(C)C)n(Cc2ccc(cc2Cl)C(F)(F)F)n1
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| InChI |
InChI=1S/C22H27ClF3N3O5S/c1-15(2)8-11-35(31,32)28-20(30)7-6-18-13-21(34-10-9-33-3)27-29(18)14-16-4-5-17(12-19(16)23)22(24,25)26/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,28,30)/b7-6+
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| InChIKey |
NFHYBQJAQCWDED-VOTSOKGWSA-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