General Information of the Compound
| Compound ID |
CP0377517
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| Compound Name |
1,3-dimethyl-8-[2-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
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| Structure |
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| Formula |
C24H32N6O4
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| Molecular Weight |
468.558
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| Canonical SMILES |
Cn1c2nc3CN(CCc4ccc(OCCN5CCOCC5)cc4)CCn3c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C24H32N6O4/c1-26-22-21(23(31)27(2)24(26)32)30-10-9-29(17-20(30)25-22)8-7-18-3-5-19(6-4-18)34-16-13-28-11-14-33-15-12-28/h3-6H,7-17H2,1-2H3
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| InChIKey |
YDZJDLRQIXJMIR-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