General Information of the Compound
| Compound ID |
CP0473050
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| Compound Name |
8-amino-6-[4-(2,3-dihydroxypropoxy)phenyl]-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
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| Structure |
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| Formula |
C20H19N5O4
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| Molecular Weight |
393.403
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| Canonical SMILES |
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCC(O)CO)cc1
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| InChI |
InChI=1S/C20H19N5O4/c21-18-19-23-25(14-4-2-1-3-5-14)20(28)24(19)10-17(22-18)13-6-8-16(9-7-13)29-12-15(27)11-26/h1-10,15,26-27H,11-12H2,(H2,21,22)
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| InChIKey |
JGSJJZGTGOMAIC-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