General Information of the Compound
| Compound ID |
CP0435384
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| Compound Name |
2-Isopropyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
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| Structure |
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| Formula |
C11H14N8
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| Molecular Weight |
258.289
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| Canonical SMILES |
CC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
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| InChI |
InChI=1S/C11H14N8/c1-6(2)9-16-8(12)7-10(17-9)18(3)11(15-7)19-13-4-5-14-19/h4-6H,1-3H3,(H2,12,16,17)
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| InChIKey |
QUIVSYGCFQQDKE-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