General Information of the Compound
| Compound ID |
CP0879880
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| Compound Name |
3-[1-(2,4-Dichlorobenzyl)-3-(pyridin-2-ylmethoxy)-1H-pyrazol-5-yl]-N-(pentylsulfonyl)propanamide hydrochloride
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| Structure |
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| Formula |
C24H29Cl3N4O4S
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| Molecular Weight |
575.946
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)CCc1cc(OCc2ccccn2)nn1Cc1ccc(Cl)cc1Cl.Cl
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| InChI |
InChI=1S/C24H28Cl2N4O4S.ClH/c1-2-3-6-13-35(32,33)29-23(31)11-10-21-15-24(34-17-20-7-4-5-12-27-20)28-30(21)16-18-8-9-19(25)14-22(18)26;/h4-5,7-9,12,14-15H,2-3,6,10-11,13,16-17H2,1H3,(H,29,31);1H
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| InChIKey |
XCJOBHLHGGSAEB-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