General Information of the Compound
| Compound ID |
CP0483081
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| Compound Name |
8-(3-methoxyphenyl)-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 |
C17H19N5O3
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| Molecular Weight |
341.371
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| Canonical SMILES |
COc1cccc(c1)N1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21
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| InChI |
InChI=1S/C17H19N5O3/c1-19-15-14(16(23)20(2)17(19)24)22-8-7-21(10-13(22)18-15)11-5-4-6-12(9-11)25-3/h4-6,9H,7-8,10H2,1-3H3
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| InChIKey |
YMALABIXZXDMNX-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