General Information of the Compound
| Compound ID |
CP0422193
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| Compound Name |
1,3-dipropyl-8-(1-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C24H26N8O3
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| Molecular Weight |
474.525
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C24H26N8O3/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)17-12-25-30(13-17)14-18-26-21(29-35-18)16-8-6-15(3)7-9-16/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
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| InChIKey |
RLXWTYPPMJNURK-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