General Information of the Compound
| Compound ID |
CP0383302
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| Compound Name |
9-Ethyl-8-phenylethynyl-9H-purin-6-ylamine
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| Synonyms |
8-phenylethynyl-9-ethyladenine
9-Ethyl-8-phenylethynyl-9H-purin-6-ylamine
BDBM50102169
CHEMBL61259
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| Structure |
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| Formula |
C15H13N5
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| Molecular Weight |
263.304
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| Canonical SMILES |
CCn1c(nc2c(N)ncnc12)C#Cc1ccccc1
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| InChI |
InChI=1S/C15H13N5/c1-2-20-12(9-8-11-6-4-3-5-7-11)19-13-14(16)17-10-18-15(13)20/h3-7,10H,2H2,1H3,(H2,16,17,18)
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| InChIKey |
AXENMZHFYBPHQF-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: PT01279, Adenosine receptor A3
Clinical Information about the Compound