General Information of the Compound
| Compound ID |
CP0411862
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| Compound Name |
1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-N,N-dimethylindole-3-sulfonamide
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| Structure |
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| Formula |
C22H25ClN4O4S2
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| Molecular Weight |
509.053
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| Canonical SMILES |
CN(C)S(=O)(=O)c1cn(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C22H25ClN4O4S2/c1-25(2)33(30,31)21-14-26(19-8-5-4-7-17(19)21)15-22-24-18-13-16(23)9-10-20(18)27(22)11-6-12-32(3,28)29/h4-5,7-10,13-14H,6,11-12,15H2,1-3H3
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| InChIKey |
KXEBAHZXFYBNHJ-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