General Information of the Compound
| Compound ID |
CP0407890
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| Compound Name |
1-ethyl-3-methyl-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione
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| Structure |
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| Formula |
C11H12N6O2
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| Molecular Weight |
260.257
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| Canonical SMILES |
CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cn[nH]c1
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| InChI |
InChI=1S/C11H12N6O2/c1-3-17-10(18)7-9(16(2)11(17)19)15-8(14-7)6-4-12-13-5-6/h4-5H,3H2,1-2H3,(H,12,13)(H,14,15)
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| InChIKey |
CVWDHPQRKZZNAX-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