General Information of the Compound
| Compound ID |
CP0468028
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| Compound Name |
7-(4-aminophenethyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
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| Structure |
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| Formula |
C18H16N8O
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| Molecular Weight |
360.381
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| Canonical SMILES |
Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
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| InChI |
InChI=1S/C18H16N8O/c19-12-5-3-11(4-6-12)7-8-25-16-13(10-21-25)17-22-15(14-2-1-9-27-14)24-26(17)18(20)23-16/h1-6,9-10H,7-8,19H2,(H2,20,23)
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| InChIKey |
IBPYIYGEVVBWIO-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