General Information of the Compound
| Compound ID |
CP0418733
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| Compound Name |
8-[5-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]-2-methylpyrazol-3-yl]-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C25H28N8O5
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| Molecular Weight |
520.55
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2noc(n2)-c2cccc(OC)c2)nn1C
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| InChI |
InChI=1S/C25H28N8O5/c1-5-10-32-22-20(24(34)33(11-6-2)25(32)35)27-21(28-22)17-13-19(29-31(17)3)37-14-18-26-23(38-30-18)15-8-7-9-16(12-15)36-4/h7-9,12-13H,5-6,10-11,14H2,1-4H3,(H,27,28)
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| InChIKey |
OQXWNCXKKYHQJW-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