General Information of the Compound
| Compound ID |
CP0372885
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| Compound Name |
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C21H26N8O
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| Molecular Weight |
406.494
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| Canonical SMILES |
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)CC1
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| InChI |
InChI=1S/C21H26N8O/c1-15-12-16(2)29(26-15)19-13-18(24-21(25-19)17-6-4-5-7-22-17)23-20(30)14-28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,24,25,30)
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| InChIKey |
IWFABDHEBLKWSW-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