General Information of the Compound
| Compound ID |
CP0526169
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| Compound Name |
(E)-3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-4-(2-hydroxyethoxy)phenyl]-N-pentylsulfonylprop-2-enamide
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| Structure |
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| Formula |
C22H24ClF3N2O6S
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| Molecular Weight |
536.956
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)\C=C\c1ccc(OCCO)cc1Oc1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C22H24ClF3N2O6S/c1-2-3-4-11-35(31,32)28-20(30)8-6-15-5-7-17(33-10-9-29)13-19(15)34-21-18(23)12-16(14-27-21)22(24,25)26/h5-8,12-14,29H,2-4,9-11H2,1H3,(H,28,30)/b8-6+
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| InChIKey |
WUCINNOIUOLQAD-SOFGYWHQSA-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