General Information of the Compound
| Compound ID |
CP0422355
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| Compound Name |
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(3-fluorophenoxy)acetamide
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| Structure |
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| Formula |
C22H20FN5O3
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| Molecular Weight |
421.432
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| Canonical SMILES |
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(F)c2)nc(n1)-c1ccc(C)o1
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| InChI |
InChI=1S/C22H20FN5O3/c1-13-9-14(2)28(27-13)20-11-19(25-22(26-20)18-8-7-15(3)31-18)24-21(29)12-30-17-6-4-5-16(23)10-17/h4-11H,12H2,1-3H3,(H,24,25,26,29)
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| InChIKey |
OJFQBKZROTVGHM-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