General Information of the Compound
| Compound ID |
CP0430514
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| Compound Name |
8-(5-Amino-1-methyl-1H-pyrazol-3-yl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C11H13N7O2
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| Molecular Weight |
275.272
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| Canonical SMILES |
Cn1nc(cc1N)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C11H13N7O2/c1-16-9-7(10(19)17(2)11(16)20)13-8(14-9)5-4-6(12)18(3)15-5/h4H,12H2,1-3H3,(H,13,14)
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| InChIKey |
JFGTWQYXXFIVLG-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
Protein ID: PT01279, Adenosine receptor A3