General Information of the Compound
| Compound ID |
CP0387251
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| Compound Name |
N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C18H15FN6O2
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| Molecular Weight |
366.356
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| Canonical SMILES |
CNc1ncc(C(=O)NCc2ccc(F)cc2)c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C18H15FN6O2/c1-20-18-22-10-13(17(26)21-9-11-4-6-12(19)7-5-11)16-23-15(24-25(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22)(H,21,26)
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| InChIKey |
YCKJUKSHJPBTIX-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