General Information of the Compound
| Compound ID |
CP0429617
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| Compound Name |
1-ethyl-3-(3-methoxypropyl)-8-(4-phenylphenyl)-7H-purine-2,6-dione
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| Structure |
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| Formula |
C23H24N4O3
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| Molecular Weight |
404.47
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| Canonical SMILES |
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C23H24N4O3/c1-3-26-22(28)19-21(27(23(26)29)14-7-15-30-2)25-20(24-19)18-12-10-17(11-13-18)16-8-5-4-6-9-16/h4-6,8-13H,3,7,14-15H2,1-2H3,(H,24,25)
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| InChIKey |
ZUMBEDFBBFUPEK-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b