General Information of the Compound
| Compound ID |
CP0375991
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| Compound Name |
2,9-Dimethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
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| Structure |
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| Formula |
C9H10N8
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| Molecular Weight |
230.235
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| Canonical SMILES |
Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1
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| InChI |
InChI=1S/C9H10N8/c1-5-13-7(10)6-8(14-5)16(2)9(15-6)17-11-3-4-12-17/h3-4H,1-2H3,(H2,10,13,14)
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| InChIKey |
JENOQIGJNSNDRT-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