General Information of the Compound
| Compound ID |
CP0470280
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| Compound Name |
N-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]acetamide
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| Structure |
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| Formula |
C23H22N4O4S
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| Molecular Weight |
450.52
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CNC(C)=O)-c2ccccn2)cc1
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| InChI |
InChI=1S/C23H22N4O4S/c1-3-32(29,30)18-9-7-17(8-10-18)31-22-13-21-20(12-16(22)14-25-15(2)28)26-23(27-21)19-6-4-5-11-24-19/h4-13H,3,14H2,1-2H3,(H,25,28)(H,26,27)
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| InChIKey |
UNMQYYDCURQBFP-UHFFFAOYSA-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