General Information of the Compound
| Compound ID |
CP0420741
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| Compound Name |
8-(1-benzylpiperidin-4-yl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
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| Structure |
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| Formula |
C22H28N6O2
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| Molecular Weight |
408.506
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| Canonical SMILES |
Cn1c2nc3CN(CCn3c2c(=O)n(C)c1=O)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C22H28N6O2/c1-24-20-19(21(29)25(2)22(24)30)28-13-12-27(15-18(28)23-20)17-8-10-26(11-9-17)14-16-6-4-3-5-7-16/h3-7,17H,8-15H2,1-2H3
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| InChIKey |
AAMNASYCNXHMJG-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3