General Information of the Compound
| Compound ID |
CP0450331
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| Compound Name |
9-[2-[4-[2-(diethylamino)ethoxy]phenyl]ethyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-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(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
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| InChI |
InChI=1S/C24H34N6O3/c1-5-28(6-2)16-17-33-19-10-8-18(9-11-19)12-15-29-13-7-14-30-20-21(25-23(29)30)26(3)24(32)27(4)22(20)31/h8-11H,5-7,12-17H2,1-4H3
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| InChIKey |
LKZCACKRMPMZHI-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT02131, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3
Protein ID: PT01827, Adenosine receptor A3