General Information of the Compound
| Compound ID |
CP0403158
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| Compound Name |
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-acetylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C22H27N7O3
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| Molecular Weight |
437.504
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| Canonical SMILES |
CC(=O)N1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
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| InChI |
InChI=1S/C22H27N7O3/c1-14-11-15(2)29(26-14)20-12-19(24-22(25-20)18-6-5-16(3)32-18)23-21(31)13-27-7-9-28(10-8-27)17(4)30/h5-6,11-12H,7-10,13H2,1-4H3,(H,23,24,25,31)
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| InChIKey |
DVMXMPFGPAWRLB-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: PT01608, Adenosine receptor A2a