General Information of the Compound
| Compound ID |
CP0418540
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| Compound Name |
N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)pyridine-4-carboxamide
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| Structure |
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| Formula |
C21H14N6O2
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| Molecular Weight |
382.383
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| Canonical SMILES |
O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccncc1
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| InChI |
InChI=1S/C21H14N6O2/c28-20(14-10-12-22-13-11-14)24-18-19-25-27(15-6-2-1-3-7-15)21(29)26(19)17-9-5-4-8-16(17)23-18/h1-13H,(H,23,24,28)
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| InChIKey |
WUBKOFOYQBUNOS-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