General Information of the Compound
| Compound ID |
CP0394495
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| Compound Name |
3-ethyl-1-propyl-8-[1-[6-(trifluoromethyl)pyridin-3-yl]pyrazol-4-yl]-7H-purine-2,6-dione
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| Structure |
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| Formula |
C19H18F3N7O2
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| Molecular Weight |
433.394
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| Canonical SMILES |
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C19H18F3N7O2/c1-3-7-28-17(30)14-16(27(4-2)18(28)31)26-15(25-14)11-8-24-29(10-11)12-5-6-13(23-9-12)19(20,21)22/h5-6,8-10H,3-4,7H2,1-2H3,(H,25,26)
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| InChIKey |
NEWRGCNLXGPNIV-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