General Information of the Compound
| Compound ID |
CP0424771
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| Compound Name |
8-[2-[4-[2-(diethylamino)ethoxy]phenyl]ethyl]-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 |
C24H34N6O3
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| Molecular Weight |
454.575
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| Canonical SMILES |
CCN(CC)CCOc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1
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| InChI |
InChI=1S/C24H34N6O3/c1-5-28(6-2)15-16-33-19-9-7-18(8-10-19)11-12-29-13-14-30-20(17-29)25-22-21(30)23(31)27(4)24(32)26(22)3/h7-10H,5-6,11-17H2,1-4H3
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| InChIKey |
XUFLIVVUGPRULF-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