General Information of the Compound
| Compound ID |
CP0478150
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| Compound Name |
5-chloro-1-(3-methylsulfonylpropyl)-2-[(3-propan-2-ylsulfonylindol-1-yl)methyl]benzimidazole
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| Structure |
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| Formula |
C23H26ClN3O4S2
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| Molecular Weight |
508.065
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| Canonical SMILES |
CC(C)S(=O)(=O)c1cn(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C23H26ClN3O4S2/c1-16(2)33(30,31)22-14-26(20-8-5-4-7-18(20)22)15-23-25-19-13-17(24)9-10-21(19)27(23)11-6-12-32(3,28)29/h4-5,7-10,13-14,16H,6,11-12,15H2,1-3H3
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| InChIKey |
OUSJMBYOCVWWHA-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