General Information of the Compound
| Compound ID |
CP0137800
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| Compound Name |
9-(1-benzylpiperidin-4-yl)-1-methyl-3-prop-2-ynyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C24H28N6O2
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| Molecular Weight |
432.528
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| Canonical SMILES |
Cn1c2nc3N(CCCn3c2c(=O)n(CC#C)c1=O)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C24H28N6O2/c1-3-12-30-22(31)20-21(26(2)24(30)32)25-23-28(13-7-14-29(20)23)19-10-15-27(16-11-19)17-18-8-5-4-6-9-18/h1,4-6,8-9,19H,7,10-17H2,2H3
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| InChIKey |
ZGNSJTKYFPAARE-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: PT01279, Adenosine receptor A3