General Information of the Compound
| Compound ID |
CP0494654
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| Compound Name |
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(ethoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C18H26N6O2
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| Molecular Weight |
358.446
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| Canonical SMILES |
CCOCC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C18H26N6O2/c1-5-26-11-15-7-6-8-23(15)17-10-16(19-14(4)25)20-18(21-17)24-13(3)9-12(2)22-24/h9-10,15H,5-8,11H2,1-4H3,(H,19,20,21,25)
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| InChIKey |
RAEPBILQBUXWGC-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