General Information of the Compound
| Compound ID |
CP0388116
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| Compound Name |
1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2-phenylethanone
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| Structure |
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| Formula |
C20H20N8O2
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| Molecular Weight |
404.434
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| Canonical SMILES |
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C20H20N8O2/c21-18-23-19(24-20-22-17(25-28(18)20)15-7-4-12-30-15)27-10-8-26(9-11-27)16(29)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H2,21,22,23,24,25)
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| InChIKey |
CKNQBBJKRSXMPU-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