General Information of the Compound
| Compound ID |
CP0546713
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| Compound Name |
6-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]-1H-benzimidazol-2-amine
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| Structure |
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| Formula |
C22H21N3O3S
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| Molecular Weight |
407.495
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| Canonical SMILES |
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1
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| InChI |
InChI=1S/C22H21N3O3S/c1-15-9-17(14-29(26,27)19-5-3-2-4-6-19)11-18(10-15)28-13-16-7-8-20-21(12-16)25-22(23)24-20/h2-12H,13-14H2,1H3,(H3,23,24,25)
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| InChIKey |
BIOWNCLYQIVDGS-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