General Information of the Compound
| Compound ID |
CP0304418
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| Compound Name |
2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
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| Structure |
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| Formula |
C22H17N7O
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| Molecular Weight |
395.426
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| Canonical SMILES |
Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C22H17N7O/c23-22-25-19-17(21-24-20(27-29(21)22)18-9-4-12-30-18)13-28(26-19)11-10-15-7-3-6-14-5-1-2-8-16(14)15/h1-9,12-13H,10-11H2,(H2,23,25,26)
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| InChIKey |
KVPYVHAQCCBFJP-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