General Information of the Compound
| Compound ID |
CP0385356
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| Compound Name |
7-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
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| Structure |
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| Formula |
C16H14FN7O
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| Molecular Weight |
339.334
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| Canonical SMILES |
CNc1nc(NCc2ccc(F)cc2)n2nc(nc2n1)-c1ccco1
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| InChI |
InChI=1S/C16H14FN7O/c1-18-14-21-15(19-9-10-4-6-11(17)7-5-10)24-16(22-14)20-13(23-24)12-3-2-8-25-12/h2-8H,9H2,1H3,(H2,18,19,20,21,22,23)
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| InChIKey |
MXCUPECTZIYFES-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