General Information of the Compound
| Compound ID |
CP0579102
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| Compound Name |
5-[2-(3-chlorophenyl)ethyl]-1,4-dihydropyrazine-2,3-dione
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| Formula |
C12H11ClN2O2
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| Molecular Weight |
250.685
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| Canonical SMILES |
Clc1cccc(CCc2c[nH]c(=O)c(=O)[nH]2)c1
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| InChI |
InChI=1S/C12H11ClN2O2/c13-9-3-1-2-8(6-9)4-5-10-7-14-11(16)12(17)15-10/h1-3,6-7H,4-5H2,(H,14,16)(H,15,17)
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| InChIKey |
WNZIIPJUNJNGDD-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