General Information of the Compound
| Compound ID |
CP0470279
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| Compound Name |
N-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-N-methylacetamide
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| Structure |
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| Formula |
C24H24N4O4S
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| Molecular Weight |
464.547
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN(C)C(C)=O)-c2ccccn2)cc1
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| InChI |
InChI=1S/C24H24N4O4S/c1-4-33(30,31)19-10-8-18(9-11-19)32-23-14-22-21(13-17(23)15-28(3)16(2)29)26-24(27-22)20-7-5-6-12-25-20/h5-14H,4,15H2,1-3H3,(H,26,27)
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| InChIKey |
IHHUJYRBHNKJIO-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