General Information of the Compound
| Compound ID |
CP0488532
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| Compound Name |
8-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl)-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C19H24N4O4
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| Molecular Weight |
372.425
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2
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| InChI |
InChI=1S/C19H24N4O4/c1-3-5-22-16-14(17(24)23(6-4-2)19(22)26)20-15(21-16)12-9-7-10-11(8-9)27-18(25)13(10)12/h9-13H,3-8H2,1-2H3,(H,20,21)
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| InChIKey |
NLHWPLSOXWSZEM-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3