General Information of the Compound
| Compound ID |
CP0411328
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| Compound Name |
N-benzyl-2-[4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)phenoxy]acetamide
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| Structure |
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| Formula |
C23H23N5O4
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| Molecular Weight |
433.468
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| Canonical SMILES |
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1
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| InChI |
InChI=1S/C23H23N5O4/c1-2-12-28-22(30)19-21(27-23(28)31)26-20(25-19)16-8-10-17(11-9-16)32-14-18(29)24-13-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,24,29)(H,25,26)(H,27,31)
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| InChIKey |
YQNDSSWLPSRYLJ-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