General Information of the Compound
| Compound ID |
CP0428952
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| Compound Name |
6-[(1,1-Dioxidoisothiazolidin-2-yl)methyl]-5-[4-(ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1H-benzimidazole
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| Structure |
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| Formula |
C24H24N4O5S2
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| Molecular Weight |
512.613
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCCS2(=O)=O)-c2ccccn2)cc1
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| InChI |
InChI=1S/C24H24N4O5S2/c1-2-34(29,30)19-9-7-18(8-10-19)33-23-15-22-21(26-24(27-22)20-6-3-4-11-25-20)14-17(23)16-28-12-5-13-35(28,31)32/h3-4,6-11,14-15H,2,5,12-13,16H2,1H3,(H,26,27)
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| InChIKey |
KZADIHLFNCWLAC-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