General Information of the Compound
| Compound ID |
CP0418138
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| Compound Name |
2-[4-[1-ethyl-3-(3-methoxypropyl)-2,6-dioxo-7H-purin-8-yl]phenoxy]-N-(1,2-oxazol-3-yl)acetamide
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| Structure |
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| Formula |
C22H24N6O6
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| Molecular Weight |
468.47
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| Canonical SMILES |
CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccon2)cc1
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| InChI |
InChI=1S/C22H24N6O6/c1-3-27-21(30)18-20(28(22(27)31)10-4-11-32-2)25-19(24-18)14-5-7-15(8-6-14)33-13-17(29)23-16-9-12-34-26-16/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,24,25)(H,23,26,29)
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| InChIKey |
UPCXLOINHZXHJP-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3