General Information of the Compound
Compound ID |
CP0403153
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Compound Name |
N-[6-(5-methyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
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Structure |
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Formula |
C20H25N7O2
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Molecular Weight |
395.467
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Canonical SMILES |
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nccc2C)CC1
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InChI |
InChI=1S/C20H25N7O2/c1-14-6-7-21-27(14)18-12-17(23-20(24-18)16-5-4-15(2)29-16)22-19(28)13-26-10-8-25(3)9-11-26/h4-7,12H,8-11,13H2,1-3H3,(H,22,23,24,28)
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InChIKey |
SHZQNWHJWFFGPA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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