General Information of the Compound
| Compound ID |
CP0500598
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| Compound Name |
N-[6-amino-2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide
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| Structure |
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| Formula |
C18H16N6O3
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| Molecular Weight |
364.365
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| Canonical SMILES |
COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O
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| InChI |
InChI=1S/C18H16N6O3/c1-10(25)20-16-17-22-24(11-6-8-12(27-2)9-7-11)18(26)23(17)14-5-3-4-13(19)15(14)21-16/h3-9H,19H2,1-2H3,(H,20,21,25)
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| InChIKey |
AJAKSDKKOWTRGD-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: PT01279, Adenosine receptor A3