General Information of the Compound
| Compound ID |
CP0576368
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| Compound Name |
5-[(4-methylsulfonylphenyl)methylsulfanyl]-1,4-dihydropyrazine-2,3-dione
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| Formula |
C12H12N2O4S2
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| Molecular Weight |
312.372
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| Canonical SMILES |
CS(=O)(=O)c1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1
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| InChI |
InChI=1S/C12H12N2O4S2/c1-20(17,18)9-4-2-8(3-5-9)7-19-10-6-13-11(15)12(16)14-10/h2-6H,7H2,1H3,(H,13,15)(H,14,16)
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| InChIKey |
MWSNINZBFLKSAY-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