General Information of the Compound
| Compound ID |
CP0429448
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| Compound Name |
2-[1-(3,5-dimethylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
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| Structure |
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| Formula |
C24H23N3O3S2
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| Molecular Weight |
465.6
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| Canonical SMILES |
Cc1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2cc(C)cc(C)c2)cc1
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| InChI |
InChI=1S/C24H23N3O3S2/c1-16-8-10-19(11-9-16)25-23(28)15-31-24-26-21-6-4-5-7-22(21)27(24)32(29,30)20-13-17(2)12-18(3)14-20/h4-14H,15H2,1-3H3,(H,25,28)
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| InChIKey |
HAIANVFPDPKFTL-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