General Information of the Compound
| Compound ID |
CP0578767
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| Compound Name |
5-(3-methyl-2H-1,4-benzoxathiin-3-yl)-1,4-dihydropyrazine-2,3-dione
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| Formula |
C13H12N2O3S
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| Molecular Weight |
276.317
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| Canonical SMILES |
CC1(COc2ccccc2S1)c1c[nH]c(=O)c(=O)[nH]1
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| InChI |
InChI=1S/C13H12N2O3S/c1-13(10-6-14-11(16)12(17)15-10)7-18-8-4-2-3-5-9(8)19-13/h2-6H,7H2,1H3,(H,14,16)(H,15,17)
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| InChIKey |
CKYNNCCALAHSNE-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