General Information of the Compound
| Compound ID |
CP0430394
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| Compound Name |
8-[(2,5-dimethylpyrazol-3-yl)methyl]-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 |
C16H21N7O2
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| Molecular Weight |
343.391
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| Canonical SMILES |
Cc1cc(CN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)n(C)n1
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| InChI |
InChI=1S/C16H21N7O2/c1-10-7-11(21(4)18-10)8-22-5-6-23-12(9-22)17-14-13(23)15(24)20(3)16(25)19(14)2/h7H,5-6,8-9H2,1-4H3
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| InChIKey |
DKVXOVRMMQRGLB-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