General Information of the Compound
Compound ID |
CP0530156
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Compound Name |
(E)-3-[2-(3-chloropyridin-2-yl)oxy-4-(2-methoxyethoxy)phenyl]-N-pentylsulfonylprop-2-enamide
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Structure |
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Formula |
C22H27ClN2O6S
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Molecular Weight |
482.986
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Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)\C=C\c1ccc(OCCOC)cc1Oc1ncccc1Cl
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InChI |
InChI=1S/C22H27ClN2O6S/c1-3-4-5-15-32(27,28)25-21(26)11-9-17-8-10-18(30-14-13-29-2)16-20(17)31-22-19(23)7-6-12-24-22/h6-12,16H,3-5,13-15H2,1-2H3,(H,25,26)/b11-9+
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InChIKey |
PBLUAYDREMPFRL-PKNBQFBNSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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