General Information of the Compound
| Compound ID |
CP0058054
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| Compound Name |
N-(6-amino-1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
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| Structure |
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| Formula |
C17H14N6O2
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| Molecular Weight |
334.339
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| Canonical SMILES |
CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O
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| InChI |
InChI=1S/C17H14N6O2/c1-10(24)19-15-16-21-23(11-6-3-2-4-7-11)17(25)22(16)13-9-5-8-12(18)14(13)20-15/h2-9H,18H2,1H3,(H,19,20,24)
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| InChIKey |
KTKFGKLOHICPDE-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3