General Information of the Compound
| Compound ID |
CP0578757
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| Compound Name |
4-[(5,6-dioxo-1,4-dihydropyrazin-2-yl)sulfanylmethyl]-2-fluorobenzonitrile
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| Formula |
C12H8FN3O2S
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| Molecular Weight |
277.28
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| Canonical SMILES |
Fc1cc(CSc2c[nH]c(=O)c(=O)[nH]2)ccc1C#N
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| InChI |
InChI=1S/C12H8FN3O2S/c13-9-3-7(1-2-8(9)4-14)6-19-10-5-15-11(17)12(18)16-10/h1-3,5H,6H2,(H,15,17)(H,16,18)
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| InChIKey |
PGQAFJGPUORZGF-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