General Information of the Compound
| Compound ID |
CP0433198
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| Compound Name |
N-[2,6-bis(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C17H21N9O
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| Molecular Weight |
367.417
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| Canonical SMILES |
CN1CCN(CC(=O)Nc2cc(nc(n2)-n2cccn2)-n2cccn2)CC1
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| InChI |
InChI=1S/C17H21N9O/c1-23-8-10-24(11-9-23)13-16(27)20-14-12-15(25-6-2-4-18-25)22-17(21-14)26-7-3-5-19-26/h2-7,12H,8-11,13H2,1H3,(H,20,21,22,27)
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| InChIKey |
QLEOUVARNDJFJN-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