General Information of the Compound
| Compound ID |
CP0458429
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| Compound Name |
2,6-diphenyl-7H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
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| Structure |
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| Formula |
C17H12N4O2
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| Molecular Weight |
304.309
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| Canonical SMILES |
O=c1n(nc2n1cc([nH]c2=O)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C17H12N4O2/c22-16-15-19-21(13-9-5-2-6-10-13)17(23)20(15)11-14(18-16)12-7-3-1-4-8-12/h1-11H,(H,18,22)
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| InChIKey |
IKFBJGHQHMCZLK-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3