General Information of the Compound
| Compound ID |
CP0569412
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| Compound Name |
4-[2-(5,6-dioxo-1,4-dihydropyrazin-2-yl)ethyl]-2-fluorobenzonitrile
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| Formula |
C13H10FN3O2
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| Molecular Weight |
259.24
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| Canonical SMILES |
Fc1cc(CCc2c[nH]c(=O)c(=O)[nH]2)ccc1C#N
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| InChI |
InChI=1S/C13H10FN3O2/c14-11-5-8(1-3-9(11)6-15)2-4-10-7-16-12(18)13(19)17-10/h1,3,5,7H,2,4H2,(H,16,18)(H,17,19)
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| InChIKey |
WZPAVNDRAIXCEX-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