General Information of the Compound
| Compound ID |
CP0579105
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| Compound Name |
5-[(4-chlorophenyl)sulfanylmethyl]-1,4-dihydropyrazine-2,3-dione
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| Formula |
C11H9ClN2O2S
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| Molecular Weight |
268.725
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| Canonical SMILES |
Clc1ccc(SCc2c[nH]c(=O)c(=O)[nH]2)cc1
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| InChI |
InChI=1S/C11H9ClN2O2S/c12-7-1-3-9(4-2-7)17-6-8-5-13-10(15)11(16)14-8/h1-5H,6H2,(H,13,15)(H,14,16)
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| InChIKey |
SERRGPXQXKKBIA-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