General Information of the Compound
| Compound ID |
CP0420721
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| Compound Name |
8-[2-(3,4-dimethoxyphenyl)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 |
C20H25N5O4
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| Molecular Weight |
399.451
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| Canonical SMILES |
COc1ccc(CCN2CCn3c(C2)nc2n(C)c(=O)n(C)c(=O)c32)cc1OC
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| InChI |
InChI=1S/C20H25N5O4/c1-22-18-17(19(26)23(2)20(22)27)25-10-9-24(12-16(25)21-18)8-7-13-5-6-14(28-3)15(11-13)29-4/h5-6,11H,7-10,12H2,1-4H3
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| InChIKey |
MSCJYUQDXILIHI-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