General Information of the Compound
| Compound ID |
CP0465048
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| Compound Name |
1,3-dibutyl-9-[2-[4-(2-morpholin-4-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 |
C30H44N6O4
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| Molecular Weight |
552.72
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| Canonical SMILES |
CCCCn1c2nc3N(CCc4ccc(OCCN5CCOCC5)cc4)CCCn3c2c(=O)n(CCCC)c1=O
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| InChI |
InChI=1S/C30H44N6O4/c1-3-5-14-35-27-26(28(37)36(30(35)38)15-6-4-2)34-16-7-13-33(29(34)31-27)17-12-24-8-10-25(11-9-24)40-23-20-32-18-21-39-22-19-32/h8-11H,3-7,12-23H2,1-2H3
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| InChIKey |
CDLMXVINGGJMMH-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