General Information of the Compound
| Compound ID |
CP0509954
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| Compound Name |
2-(3-cyanophenoxy)-N-(2-(pyridin-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide
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| Structure |
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| Formula |
C21H14N6O2S
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| Molecular Weight |
414.45
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| Canonical SMILES |
O=C(COc1cccc(c1)C#N)Nc1cc(nc(n1)-c1ccccn1)-c1nccs1
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| InChI |
InChI=1S/C21H14N6O2S/c22-12-14-4-3-5-15(10-14)29-13-19(28)26-18-11-17(21-24-8-9-30-21)25-20(27-18)16-6-1-2-7-23-16/h1-11H,13H2,(H,25,26,27,28)
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| InChIKey |
GYOCQXVVGOKQNM-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