General Information of the Compound
| Compound ID |
CP0415765
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| Compound Name |
2-[1-(3,5-dimethylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C24H23N3O5S3
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| Molecular Weight |
529.665
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| Canonical SMILES |
Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccc(cc2)S(C)(=O)=O)nc2ccccc12
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| InChI |
InChI=1S/C24H23N3O5S3/c1-16-12-17(2)14-20(13-16)35(31,32)27-22-7-5-4-6-21(22)26-24(27)33-15-23(28)25-18-8-10-19(11-9-18)34(3,29)30/h4-14H,15H2,1-3H3,(H,25,28)
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| InChIKey |
HRZCTRGNLVWTGP-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