General Information of the Compound
| Compound ID |
CP0377516
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| Compound Name |
1,3-dimethyl-9-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C25H34N6O3
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| Molecular Weight |
466.586
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| Canonical SMILES |
Cn1c2nc3N(CCc4ccc(OCCN5CCCCC5)cc4)CCCn3c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C25H34N6O3/c1-27-22-21(23(32)28(2)25(27)33)31-15-6-14-30(24(31)26-22)16-11-19-7-9-20(10-8-19)34-18-17-29-12-4-3-5-13-29/h7-10H,3-6,11-18H2,1-2H3
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| InChIKey |
UBSXEYDFFLRVLV-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