General Information of the Compound
| Compound ID |
CP0467978
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| Compound Name |
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
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| Structure |
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| Formula |
C21H25N7O3
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| Molecular Weight |
423.477
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| Canonical SMILES |
COc1cncc(c1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C21H25N7O3/c1-14-8-15(2)28(26-14)21-23-18(16-9-17(30-3)12-22-11-16)10-19(25-21)24-20(29)13-27-4-6-31-7-5-27/h8-12H,4-7,13H2,1-3H3,(H,23,24,25,29)
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| InChIKey |
CYCJQENBXNRINR-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