General Information of the Compound
| Compound ID |
CP0446832
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| Compound Name |
1,3-dimethyl-9-[(2-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C18H21N5O2
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| Molecular Weight |
339.399
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| Canonical SMILES |
Cc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
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| InChI |
InChI=1S/C18H21N5O2/c1-12-7-4-5-8-13(12)11-22-9-6-10-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h4-5,7-8H,6,9-11H2,1-3H3
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| InChIKey |
PKNARXWREUKPBP-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
Protein ID: PT01279, Adenosine receptor A3