General Information of the Compound
| Compound ID |
CP0454714
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| Compound Name |
N-(3,4-dimethoxyphenyl)-2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1,2-oxazol-3-yl]oxy]acetamide
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| Structure |
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| Formula |
C24H28N6O7
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| Molecular Weight |
512.523
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)no1
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| InChI |
InChI=1S/C24H28N6O7/c1-5-9-29-22-20(23(32)30(10-6-2)24(29)33)26-21(27-22)17-12-19(28-37-17)36-13-18(31)25-14-7-8-15(34-3)16(11-14)35-4/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,25,31)(H,26,27)
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| InChIKey |
ZZTSKRQQHMMZPM-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3