General Information of the Compound
| Compound ID |
CP0360672
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| Compound Name |
2,6-diphenyl-8-isopropyl-1-deazapurine
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| Synonyms |
BDBM50205281
CHEMBL221343
LUF-5980
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| Structure |
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| Formula |
C21H19N3
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| Molecular Weight |
313.404
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| Canonical SMILES |
CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C21H19N3/c1-14(2)20-23-19-17(15-9-5-3-6-10-15)13-18(22-21(19)24-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,22,23,24)
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| InChIKey |
REXYMDQLBZWOMA-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