General Information of the Compound
| Compound ID |
CP0437047
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| Compound Name |
6-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]-1H-benzimidazole
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| Structure |
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| Formula |
C22H20N2O3S
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| Molecular Weight |
392.48
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| Canonical SMILES |
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]cnc3c2)c1
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| InChI |
InChI=1S/C22H20N2O3S/c1-16-9-18(14-28(25,26)20-5-3-2-4-6-20)11-19(10-16)27-13-17-7-8-21-22(12-17)24-15-23-21/h2-12,15H,13-14H2,1H3,(H,23,24)
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| InChIKey |
FARVPJMTWVKGMK-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