General Information of the Compound
| Compound ID |
CP0467289
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| Compound Name |
8-propyl-2,6-diphenyl-9H-purine
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| Synonyms |
8-propyl-2,6-diphenyl-9H-purine
CHEMBL424869
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| Structure |
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| Formula |
C20H18N4
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| Molecular Weight |
314.392
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| Canonical SMILES |
CCCc1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C20H18N4/c1-2-9-16-21-18-17(14-10-5-3-6-11-14)23-19(24-20(18)22-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,21,22,23,24)
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| InChIKey |
LIJDFWULFIYULY-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