General Information of the Compound
| Compound ID |
CP0479669
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| Compound Name |
6-methyl-2-phenyl-7H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
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| Structure |
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| Formula |
C12H10N4O2
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| Molecular Weight |
242.238
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| Canonical SMILES |
Cc1cn2c(nn(-c3ccccc3)c2=O)c(=O)[nH]1
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| InChI |
InChI=1S/C12H10N4O2/c1-8-7-15-10(11(17)13-8)14-16(12(15)18)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)
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| InChIKey |
XBOASGJYBKRDNI-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