General Information of the Compound
| Compound ID |
CP0431083
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| Compound Name |
5-[4-(4-Chloro-benzyl)-piperazin-1-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
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| Structure |
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| Formula |
C19H19ClN8O
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| Molecular Weight |
410.869
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| Canonical SMILES |
Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C19H19ClN8O/c20-14-5-3-13(4-6-14)12-26-7-9-27(10-8-26)18-23-17(21)28-19(24-18)22-16(25-28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H2,21,22,23,24,25)
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| InChIKey |
RJBNWXOQBZXPPA-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