General Information of the Compound
| Compound ID |
CP0579480
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| Compound Name |
(3R)-3-(5,6-dioxo-1,4-dihydropyrazin-2-yl)-3-methyl-2H-1,4-benzoxathiine-7-carbonitrile
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| Structure |
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| Formula |
C14H11N3O3S
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| Molecular Weight |
301.327
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| Canonical SMILES |
C[C@]1(COc2cc(ccc2S1)C#N)c1c[nH]c(=O)c(=O)[nH]1
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| InChI |
InChI=1S/C14H11N3O3S/c1-14(11-6-16-12(18)13(19)17-11)7-20-9-4-8(5-15)2-3-10(9)21-14/h2-4,6H,7H2,1H3,(H,16,18)(H,17,19)/t14-/m0/s1
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| InChIKey |
RSGPIJJGDJMIFT-AWEZNQCLSA-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