General Information of the Compound
| Compound ID |
CP0454172
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| Compound Name |
2-dimethylamino-N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide
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| Structure |
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| Formula |
C15H16N6O2
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| Molecular Weight |
312.333
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| Canonical SMILES |
CN(C)CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1
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| InChI |
InChI=1S/C15H16N6O2/c1-20(2)10-14(22)17-12-9-13(21-7-4-6-16-21)19-15(18-12)11-5-3-8-23-11/h3-9H,10H2,1-2H3,(H,17,18,19,22)
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| InChIKey |
BXANNUDVSKOUNE-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