General Information of the Compound
| Compound ID |
CP0437852
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| Compound Name |
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C20H22N6O
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| Molecular Weight |
362.437
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| Canonical SMILES |
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C20H22N6O/c1-13-10-14(2)26(24-13)20-22-18(21-15(3)27)11-19(23-20)25-9-8-16-6-4-5-7-17(16)12-25/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22,23,27)
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| InChIKey |
BJIHXFIZELWLCM-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