General Information of the Compound
| Compound ID |
CP0438935
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| Compound Name |
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-phenoxyacetamide
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| Structure |
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| Formula |
C20H16N4O3S
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| Molecular Weight |
392.44
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| Canonical SMILES |
Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2)cc(n1)-c1nccs1
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| InChI |
InChI=1S/C20H16N4O3S/c1-13-7-8-16(27-13)19-22-15(20-21-9-10-28-20)11-17(24-19)23-18(25)12-26-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23,24,25)
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| InChIKey |
AIBOKCZKYWCPKJ-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