General Information of the Compound
| Compound ID |
CP0509953
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| Compound Name |
2-(3-cyanophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide
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| Structure |
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| Formula |
C21H15N5O3S
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| Molecular Weight |
417.45
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| Canonical SMILES |
Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(c2)C#N)cc(n1)-c1nccs1
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| InChI |
InChI=1S/C21H15N5O3S/c1-13-5-6-17(29-13)20-24-16(21-23-7-8-30-21)10-18(26-20)25-19(27)12-28-15-4-2-3-14(9-15)11-22/h2-10H,12H2,1H3,(H,24,25,26,27)
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| InChIKey |
BTRDGDNHKGWPRJ-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