General Information of the Compound
| Compound ID |
CP0496627
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| Compound Name |
2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C26H30N6O4
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| Molecular Weight |
490.564
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| Canonical SMILES |
COc1cccc(CN(C)C)c1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C26H30N6O4/c1-16-12-17(2)32(30-16)23-13-22(28-26(29-23)21-11-10-18(3)36-21)27-24(33)15-35-25-19(14-31(4)5)8-7-9-20(25)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33)
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| InChIKey |
VXQXNOLFVCYRIO-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