General Information of the Compound
| Compound ID |
CP0478148
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| Compound Name |
1-(2-methylsulfonylethyl)-2-[(1-methylsulfonylindol-3-yl)methyl]benzimidazole
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| Structure |
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| Formula |
C20H21N3O4S2
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| Molecular Weight |
431.539
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| Canonical SMILES |
CS(=O)(=O)CCn1c(Cc2cn(c3ccccc23)S(C)(=O)=O)nc2ccccc12
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| InChI |
InChI=1S/C20H21N3O4S2/c1-28(24,25)12-11-22-19-10-6-4-8-17(19)21-20(22)13-15-14-23(29(2,26)27)18-9-5-3-7-16(15)18/h3-10,14H,11-13H2,1-2H3
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| InChIKey |
CEVCQNKTIPGMRY-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