General Information of the Compound
| Compound ID |
CP0377515
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| Compound Name |
9-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-diethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C22H30N6O3
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| Molecular Weight |
426.521
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| Canonical SMILES |
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1ccc(OCCN(C)C)cc1
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| InChI |
InChI=1S/C22H30N6O3/c1-5-25-19-18(20(29)26(6-2)22(25)30)28-13-7-12-27(21(28)23-19)16-8-10-17(11-9-16)31-15-14-24(3)4/h8-11H,5-7,12-15H2,1-4H3
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| InChIKey |
VPRSOVYIPNSJNZ-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