General Information of the Compound
| Compound ID |
CP0478149
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| Compound Name |
1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-N-methylindole-3-sulfonamide
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| Structure |
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| Formula |
C21H23ClN4O4S2
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| Molecular Weight |
495.026
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| Canonical SMILES |
CNS(=O)(=O)c1cn(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C21H23ClN4O4S2/c1-23-32(29,30)20-13-25(18-7-4-3-6-16(18)20)14-21-24-17-12-15(22)8-9-19(17)26(21)10-5-11-31(2,27)28/h3-4,6-9,12-13,23H,5,10-11,14H2,1-2H3
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| InChIKey |
KSRQEZZIOIBKJF-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