General Information of the Compound
| Compound ID |
CP0457889
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| Compound Name |
8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C20H18N8O3
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| Molecular Weight |
418.417
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| Canonical SMILES |
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
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| InChI |
InChI=1S/C20H18N8O3/c1-2-8-28-19(29)15-17(25-20(28)30)24-16(23-15)13-9-21-27(10-13)11-14-22-18(31-26-14)12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,23,24)(H,25,30)
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| InChIKey |
SFKVNTJTARTRFD-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