General Information of the Compound
| Compound ID |
CP0386366
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| Compound Name |
1,3-dimethyl-9-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C23H30N6O3
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| Molecular Weight |
438.532
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| Canonical SMILES |
Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)c1ccc(OCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C23H30N6O3/c1-25-20-19(21(30)26(2)23(25)31)29-14-6-13-28(22(29)24-20)17-7-9-18(10-8-17)32-16-15-27-11-4-3-5-12-27/h7-10H,3-6,11-16H2,1-2H3
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| InChIKey |
HWDSFNSNLKEEEF-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