General Information of the Compound
| Compound ID |
CP0431957
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| Compound Name |
8-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-dimethyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C17H21N5O3
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| Molecular Weight |
343.387
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C17H21N5O3/c1-20(2)9-10-25-12-7-5-11(6-8-12)14-18-13-15(19-14)21(3)17(24)22(4)16(13)23/h5-8H,9-10H2,1-4H3,(H,18,19)
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| InChIKey |
VDABXKVHAPGDRV-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: PT01279, Adenosine receptor A3