General Information of the Compound
| Compound ID |
CP0520036
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| Compound Name |
9-ethyl-8-phenylpurin-6-amine
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| Structure |
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| Formula |
C13H13N5
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| Molecular Weight |
239.282
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| Canonical SMILES |
CCn1c(nc2c(N)ncnc12)-c1ccccc1
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| InChI |
InChI=1S/C13H13N5/c1-2-18-12(9-6-4-3-5-7-9)17-10-11(14)15-8-16-13(10)18/h3-8H,2H2,1H3,(H2,14,15,16)
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| InChIKey |
DURBCCLYBKKYNA-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
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3