General Information of the Compound
| Compound ID |
CP0579835
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| Compound Name |
5-[(3,4-difluorophenyl)methylsulfanyl]-1,4-dihydropyrazine-2,3-dione
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| Formula |
C11H8F2N2O2S
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| Molecular Weight |
270.26
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| Canonical SMILES |
Fc1ccc(CSc2c[nH]c(=O)c(=O)[nH]2)cc1F
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| InChI |
InChI=1S/C11H8F2N2O2S/c12-7-2-1-6(3-8(7)13)5-18-9-4-14-10(16)11(17)15-9/h1-4H,5H2,(H,14,16)(H,15,17)
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| InChIKey |
KPRAMHHLPBANNK-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