General Information of the Compound
| Compound ID |
CP0373080
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| Compound Name |
3-ethyl-8-[1-(6-methylpyridin-3-yl)pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C19H21N7O2
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| Molecular Weight |
379.424
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| Canonical SMILES |
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1ccc(C)nc1
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| InChI |
InChI=1S/C19H21N7O2/c1-4-8-25-18(27)15-17(24(5-2)19(25)28)23-16(22-15)13-9-21-26(11-13)14-7-6-12(3)20-10-14/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,23)
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| InChIKey |
MPYADSNISZPEDK-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