General Information of the Compound
| Compound ID |
CP0408234
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| Compound Name |
6-amino-4-benzamido-1,2-dihydro-2-phenyl-1,2,4-triazolo[4,3-a]quinoxalin-1-one
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| Structure |
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| Formula |
C22H16N6O2
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| Molecular Weight |
396.41
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| Canonical SMILES |
Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
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| InChI |
InChI=1S/C22H16N6O2/c23-16-12-7-13-17-18(16)24-19(25-21(29)14-8-3-1-4-9-14)20-26-28(22(30)27(17)20)15-10-5-2-6-11-15/h1-13H,23H2,(H,24,25,29)
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| InChIKey |
UNGYPXFMYYJLOR-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