General Information of the Compound
| Compound ID |
CP0420523
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| Compound Name |
2,6-diphenyl-9H-purine
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| Synonyms |
1H-Purine, 2,6-diphenyl-
2,6-diphenyl-9H-purine
889673-58-9
CHEMBL381729
CTK3A4137
DTXSID90468791
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| Structure |
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| Formula |
C17H12N4
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| Molecular Weight |
272.311
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| Canonical SMILES |
c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C17H12N4/c1-3-7-12(8-4-1)14-15-17(19-11-18-15)21-16(20-14)13-9-5-2-6-10-13/h1-11H,(H,18,19,20,21)
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| InChIKey |
WNVFFQZYOFELQA-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