General Information of the Compound
| Compound ID |
CP0451592
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| Compound Name |
1,3-dimethyl-8-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-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 |
Cn1c2nc3CN(CCc4ccc(OCCN5CCCCC5)cc4)CCn3c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C25H34N6O3/c1-27-23-22(24(32)28(2)25(27)33)31-15-14-30(18-21(31)26-23)13-10-19-6-8-20(9-7-19)34-17-16-29-11-4-3-5-12-29/h6-9H,3-5,10-18H2,1-2H3
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| InChIKey |
XDOOKMXWXIJKMA-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