General Information of the Compound
| Compound ID |
CP0369563
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| Compound Name |
4-benzamido-2-(4-methoxyphenyl)-1,2-dihydro-1,2,4-triazolo[4,3-a]quinoxalin-1-one
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| Structure |
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| Formula |
C23H17N5O3
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| Molecular Weight |
411.421
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| Canonical SMILES |
COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ccccc3n2c1=O
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| InChI |
InChI=1S/C23H17N5O3/c1-31-17-13-11-16(12-14-17)28-23(30)27-19-10-6-5-9-18(19)24-20(21(27)26-28)25-22(29)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,25,29)
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| InChIKey |
URGSNTSTFBCWKA-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