General Information of the Compound
| Compound ID |
CP0407889
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| Compound Name |
3-methyl-1-(2-methylpropyl)-8-(1H-pyrazol-4-yl)-7H-purine-2,6-dione
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| Structure |
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| Formula |
C13H16N6O2
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| Molecular Weight |
288.311
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| Canonical SMILES |
CC(C)Cn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cn[nH]c1
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| InChI |
InChI=1S/C13H16N6O2/c1-7(2)6-19-12(20)9-11(18(3)13(19)21)17-10(16-9)8-4-14-15-5-8/h4-5,7H,6H2,1-3H3,(H,14,15)(H,16,17)
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| InChIKey |
IQNAJKFHWYEYQY-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b