General Information of the Compound
| Compound ID |
CP0458924
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| Compound Name |
1,3-dimethyl-8-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-purine-2,6-dione
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| Structure |
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| Formula |
C19H23N5O3
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| Molecular Weight |
369.425
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| Canonical SMILES |
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCN2CCCC2)cc1
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| InChI |
InChI=1S/C19H23N5O3/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-5-7-14(8-6-13)27-12-11-24-9-3-4-10-24/h5-8H,3-4,9-12H2,1-2H3,(H,20,21)
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| InChIKey |
GYXMFVFGWSOGMV-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