General Information of the Compound
| Compound ID |
CP0474615
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| Compound Name |
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C16H22N6O
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| Molecular Weight |
314.393
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| Canonical SMILES |
CC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C16H22N6O/c1-10-8-12(3)22(20-10)16-18-14(17-13(4)23)9-15(19-16)21-7-5-6-11(21)2/h8-9,11H,5-7H2,1-4H3,(H,17,18,19,23)
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| InChIKey |
FINGQUKKTRAYQK-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