General Information of the Compound
| Compound ID |
CP0496820
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| Compound Name |
1,3-Dipropyl-8-[4-(5-p-tolyl-[1,2,4]oxadiazol-3-ylmethoxy)-phenyl]-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C27H28N6O4
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| Molecular Weight |
500.559
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C27H28N6O4/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)18-10-12-20(13-11-18)36-16-21-28-25(37-31-21)19-8-6-17(3)7-9-19/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)
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| InChIKey |
MTTFKOZHQXOLAS-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