General Information of the Compound
| Compound ID |
CP0386240
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| Compound Name |
N-[6-(6-aminopyridin-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C16H17N7O
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| Molecular Weight |
323.36
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| Canonical SMILES |
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(N)n1
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| InChI |
InChI=1S/C16H17N7O/c1-9-7-10(2)23(22-9)16-20-13(8-15(21-16)18-11(3)24)12-5-4-6-14(17)19-12/h4-8H,1-3H3,(H2,17,19)(H,18,20,21,24)
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| InChIKey |
IJOJVQBWEGAGTM-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