General Information of the Compound
| Compound ID |
CP0946751
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| Compound Name |
8-chloro-3-ethyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione
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| Structure |
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| Formula |
C8H9ClN4O2
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| Molecular Weight |
228.639
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| Canonical SMILES |
CCn1c(=O)n(C)c(=O)c2[nH]c(Cl)nc21
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| InChI |
InChI=1S/C8H9ClN4O2/c1-3-13-5-4(10-7(9)11-5)6(14)12(2)8(13)15/h3H2,1-2H3,(H,10,11)
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| InChIKey |
JYEATXXCQAWVKU-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