General Information of the Compound
| Compound ID |
CP0459261
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| Compound Name |
(E)-3-[2-(3,5-dichloropyridin-2-yl)oxy-4-(2-methoxyethoxy)phenyl]-N-pentylsulfonylprop-2-enamide
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| Structure |
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| Formula |
C22H26Cl2N2O6S
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| Molecular Weight |
517.431
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)\C=C\c1ccc(OCCOC)cc1Oc1ncc(Cl)cc1Cl
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| InChI |
InChI=1S/C22H26Cl2N2O6S/c1-3-4-5-12-33(28,29)26-21(27)9-7-16-6-8-18(31-11-10-30-2)14-20(16)32-22-19(24)13-17(23)15-25-22/h6-9,13-15H,3-5,10-12H2,1-2H3,(H,26,27)/b9-7+
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| InChIKey |
REBPRQNYBGIGJK-VQHVLOKHSA-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