General Information of the Compound
| Compound ID |
CP0372914
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| Compound Name |
1-propyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C21H17F3N8O3
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| Molecular Weight |
486.414
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| Canonical SMILES |
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C21H17F3N8O3/c1-2-7-32-19(33)15-17(29-20(32)34)28-16(27-15)12-8-25-31(9-12)10-14-26-18(35-30-14)11-3-5-13(6-4-11)21(22,23)24/h3-6,8-9H,2,7,10H2,1H3,(H,27,28)(H,29,34)
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| InChIKey |
KZGZJGCFZAFFTF-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