General Information of the Compound
| Compound ID |
CP0513764
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| Compound Name |
(E)-3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-4-(2-methoxyethoxy)phenyl]-2-methyl-N-pentylsulfonylprop-2-enamide
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| Structure |
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| Formula |
C24H28ClF3N2O6S
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| Molecular Weight |
565.01
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)C(\C)=C\c1ccc(OCCOC)cc1Oc1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C24H28ClF3N2O6S/c1-4-5-6-11-37(32,33)30-22(31)16(2)12-17-7-8-19(35-10-9-34-3)14-21(17)36-23-20(25)13-18(15-29-23)24(26,27)28/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,30,31)/b16-12+
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| InChIKey |
QZXMWWNXUHGWHR-FOWTUZBSSA-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