General Information of the Compound
| Compound ID |
CP0570177
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| Compound Name |
4-[2-(5,6-dioxo-1,4-dihydropyrazin-2-yl)ethyl]benzonitrile
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| Formula |
C13H11N3O2
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| Molecular Weight |
241.25
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| Canonical SMILES |
O=c1[nH]cc(CCc2ccc(cc2)C#N)[nH]c1=O
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| InChI |
InChI=1S/C13H11N3O2/c14-7-10-3-1-9(2-4-10)5-6-11-8-15-12(17)13(18)16-11/h1-4,8H,5-6H2,(H,15,17)(H,16,18)
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| InChIKey |
KYIGSCSIVGCTIB-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
Protein ID: PT06971, D-amino-acid oxidase
Protein ID: PT02547, D-amino-acid oxidase