General Information of the Compound
| Compound ID |
CP0544878
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| Compound Name |
3-[(5,6-dioxo-1,4-dihydropyrazin-2-yl)sulfanylmethyl]benzonitrile
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| Formula |
C12H9N3O2S
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| Molecular Weight |
259.29
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| Canonical SMILES |
O=c1[nH]cc(SCc2cccc(c2)C#N)[nH]c1=O
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| InChI |
InChI=1S/C12H9N3O2S/c13-5-8-2-1-3-9(4-8)7-18-10-6-14-11(16)12(17)15-10/h1-4,6H,7H2,(H,14,16)(H,15,17)
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| InChIKey |
SXLRQXSTTHPTIM-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