General Information of the Compound
| Compound ID |
CP0411863
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| Compound Name |
5-chloro-2-[(3-ethylsulfonylindol-1-yl)methyl]-1-(3-methylsulfonylpropyl)benzimidazole
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| Structure |
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| Formula |
C22H24ClN3O4S2
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| Molecular Weight |
494.038
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| Canonical SMILES |
CCS(=O)(=O)c1cn(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C22H24ClN3O4S2/c1-3-32(29,30)21-14-25(19-8-5-4-7-17(19)21)15-22-24-18-13-16(23)9-10-20(18)26(22)11-6-12-31(2,27)28/h4-5,7-10,13-14H,3,6,11-12,15H2,1-2H3
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| InChIKey |
OKMLKPZWOJBRQA-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