General Information of the Compound
| Compound ID |
CP0200052
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| Compound Name |
1-Allyl-3-methyl-8-phenyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C15H14N4O2
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| Molecular Weight |
282.303
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| Canonical SMILES |
Cn1c2nc([nH]c2c(=O)n(CC=C)c1=O)-c1ccccc1
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| InChI |
InChI=1S/C15H14N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H,16,17)
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| InChIKey |
MJCQAXMJLOGLCR-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: PT01717, Adenosine receptor A1
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT02131, Adenosine receptor A2b