General Information of the Compound
| Compound ID |
CP0430550
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| Compound Name |
N-(1,3-benzodioxol-5-yl)-2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1,2-oxazol-3-yl]oxy]acetamide
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| Synonyms |
AS 74
AS-74
AS74
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| Structure |
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| Formula |
C23H24N6O7
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| Molecular Weight |
496.48
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)no1
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| InChI |
InChI=1S/C23H24N6O7/c1-3-7-28-21-19(22(31)29(8-4-2)23(28)32)25-20(26-21)16-10-18(27-36-16)33-11-17(30)24-13-5-6-14-15(9-13)35-12-34-14/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3,(H,24,30)(H,25,26)
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| InChIKey |
ZPOGAROKPIBRMR-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
Clinical Information about the Compound