General Information of the Compound
| Compound ID |
CP0560042
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| Compound Name |
8-amino-6-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
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| Structure |
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| Formula |
C25H28N6O3
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| Molecular Weight |
460.538
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| Canonical SMILES |
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCC(O)CN2CCCCC2)cc1
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| InChI |
InChI=1S/C25H28N6O3/c26-23-24-28-31(19-7-3-1-4-8-19)25(33)30(24)16-22(27-23)18-9-11-21(12-10-18)34-17-20(32)15-29-13-5-2-6-14-29/h1,3-4,7-12,16,20,32H,2,5-6,13-15,17H2,(H2,26,27)
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| InChIKey |
AWJQTLFPUKLVQL-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