General Information of the Compound
| Compound ID |
CP0427854
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| Compound Name |
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-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)-c2ccco2)-n2nc(C)cc2C)CC1
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| InChI |
InChI=1S/C20H25N7O2/c1-14-11-15(2)27(24-14)18-12-17(22-20(23-18)16-5-4-10-29-16)21-19(28)13-26-8-6-25(3)7-9-26/h4-5,10-12H,6-9,13H2,1-3H3,(H,21,22,23,28)
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| InChIKey |
BWVAXODRSJSHDC-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