General Information of the Compound
| Compound ID |
CP0337596
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| Compound Name |
8-Biphenyl-4-yl-5-butyl-3H-[1,2,4]triazolo[5,1-i]purine
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| Structure |
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| Formula |
C22H20N6
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| Molecular Weight |
368.444
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| Canonical SMILES |
CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C22H20N6/c1-2-3-9-18-25-21-19(23-14-24-21)22-26-20(27-28(18)22)17-12-10-16(11-13-17)15-7-5-4-6-8-15/h4-8,10-14H,2-3,9H2,1H3,(H,23,24)
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| InChIKey |
IFTUCNITHWUROU-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3