General Information of the Compound
| Compound ID |
CP0386239
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| Compound Name |
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(2-methoxyethoxy)pyridin-3-yl]pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C19H22N6O3
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| Molecular Weight |
382.424
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| Canonical SMILES |
COCCOc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C19H22N6O3/c1-12-7-13(2)25(24-12)19-22-17(9-18(23-19)21-14(3)26)15-8-16(11-20-10-15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H,21,22,23,26)
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| InChIKey |
LHFROBFAPLSYRB-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