General Information of the Compound
| Compound ID |
CP0360671
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| Compound Name |
2,6-diphenyl-8-isobutyl-1-deazapurine
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| Synonyms |
BDBM50205280
CHEMBL221486
LUF-5978
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| Structure |
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| Formula |
C22H21N3
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| Molecular Weight |
327.431
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| Canonical SMILES |
CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C22H21N3/c1-15(2)13-20-24-21-18(16-9-5-3-6-10-16)14-19(23-22(21)25-20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,23,24,25)
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| InChIKey |
PPFWSQNEFCXMGP-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