General Information of the Compound
| Compound ID |
CP0408678
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| Compound Name |
5-methyl-3-(4-methylphenyl)sulfonyl-1H-benzimidazole-2-thione
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| Structure |
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| Formula |
C15H14N2O2S2
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| Molecular Weight |
318.423
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)n1c2cc(C)ccc2[nH]c1=S
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| InChI |
InChI=1S/C15H14N2O2S2/c1-10-3-6-12(7-4-10)21(18,19)17-14-9-11(2)5-8-13(14)16-15(17)20/h3-9H,1-2H3,(H,16,20)
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| InChIKey |
SHJYUZGWMRLZIY-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
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2