General Information of the Compound
| Compound ID |
CP0579103
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| Compound Name |
5,6-dioxo-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-dihydropyrazine-2-carbonitrile
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| Formula |
C14H10F3N3O2
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| Molecular Weight |
309.247
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| Canonical SMILES |
FC(F)(F)c1ccc(CCc2[nH]c(=O)c(=O)[nH]c2C#N)cc1
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| InChI |
InChI=1S/C14H10F3N3O2/c15-14(16,17)9-4-1-8(2-5-9)3-6-10-11(7-18)20-13(22)12(21)19-10/h1-2,4-5H,3,6H2,(H,19,21)(H,20,22)
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| InChIKey |
XNMVJQZFJYXDJA-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