General Information of the Compound
| Compound ID |
CP0448649
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| Compound Name |
8-amino-2-phenyl-6-(3-prop-2-ynoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
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| Structure |
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| Formula |
C20H15N5O2
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| Molecular Weight |
357.373
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| Canonical SMILES |
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1cccc(OCC#C)c1
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| InChI |
InChI=1S/C20H15N5O2/c1-2-11-27-16-10-6-7-14(12-16)17-13-24-19(18(21)22-17)23-25(20(24)26)15-8-4-3-5-9-15/h1,3-10,12-13H,11H2,(H2,21,22)
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| InChIKey |
HYHHECXOMWGGQB-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