General Information of the Compound
| Compound ID |
CP0467287
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| Compound Name |
2-tolyl-6-phenyl-9H-purine
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| Synonyms |
2-tolyl-6-phenyl-9H-purine
CHEMBL205194
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| Structure |
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| Formula |
C18H14N4
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| Molecular Weight |
286.338
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| Canonical SMILES |
Cc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1
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| InChI |
InChI=1S/C18H14N4/c1-12-7-9-14(10-8-12)17-21-15(13-5-3-2-4-6-13)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22)
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| InChIKey |
OPFZHJCGZXEIRY-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