General Information of the Compound
| Compound ID |
CP0433424
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| Compound Name |
N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide
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| Structure |
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| Formula |
C22H16N6O3
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| Molecular Weight |
412.409
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| Canonical SMILES |
COc1ccc(cc1)-n1nc2c(NC(=O)c3ccncc3)nc3ccccc3n2c1=O
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| InChI |
InChI=1S/C22H16N6O3/c1-31-16-8-6-15(7-9-16)28-22(30)27-18-5-3-2-4-17(18)24-19(20(27)26-28)25-21(29)14-10-12-23-13-11-14/h2-13H,1H3,(H,24,25,29)
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| InChIKey |
OTBVDTOGBXZBSN-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