General Information of the Compound
| Compound ID |
CP0433197
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| Compound Name |
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C19H24N8O2
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| Molecular Weight |
396.455
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| Canonical SMILES |
CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2cnco2)CC1
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| InChI |
InChI=1S/C19H24N8O2/c1-13-8-14(2)27(24-13)19-21-15(16-10-20-12-29-16)9-17(23-19)22-18(28)11-26-6-4-25(3)5-7-26/h8-10,12H,4-7,11H2,1-3H3,(H,21,22,23,28)
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| InChIKey |
SOTLFSJXJXCTLT-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