General Information of the Compound
| Compound ID |
CP0513766
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| Compound Name |
(E)-3-[2-(5-acetamido-3-methylpyridin-2-yl)oxy-4-(2-methoxyethoxy)phenyl]-N-pentylsulfonylprop-2-enamide
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| Structure |
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| Formula |
C25H33N3O7S
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| Molecular Weight |
519.62
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)\C=C\c1ccc(OCCOC)cc1Oc1ncc(NC(C)=O)cc1C
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| InChI |
InChI=1S/C25H33N3O7S/c1-5-6-7-14-36(31,32)28-24(30)11-9-20-8-10-22(34-13-12-33-4)16-23(20)35-25-18(2)15-21(17-26-25)27-19(3)29/h8-11,15-17H,5-7,12-14H2,1-4H3,(H,27,29)(H,28,30)/b11-9+
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| InChIKey |
DQGPXTGUPAEMKA-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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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