General Information of the Compound
| Compound ID |
CP0462579
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| Compound Name |
methyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate
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| Structure |
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| Formula |
C17H18N6O3
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| Molecular Weight |
354.37
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| Canonical SMILES |
COC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
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| InChI |
InChI=1S/C17H18N6O3/c1-10-5-11(2)23(22-10)16-19-14(7-15(20-16)21-17(24)26-4)12-6-13(25-3)9-18-8-12/h5-9H,1-4H3,(H,19,20,21,24)
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| InChIKey |
OIGKTTFTKCPYQX-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
Protein ID: PT01608, Adenosine receptor A2a