General Information of the Compound
| Compound ID |
CP0447721
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| Compound Name |
8-Biphenyl-4-yl-5-(2-methoxy-ethyl)-3H-[1,2,4]triazolo[5,1-i]purine
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| Structure |
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| Formula |
C21H18N6O
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| Molecular Weight |
370.416
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| Canonical SMILES |
COCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C21H18N6O/c1-28-12-11-17-24-20-18(22-13-23-20)21-25-19(26-27(17)21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,22,23)
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| InChIKey |
ZCKQZNBYPKNEJN-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