General Information of the Compound
| Compound ID |
CP0079479
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| Compound Name |
2-Furan-2-yl-8-(2,4,5-tribromo-benzyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
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| Structure |
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| Formula |
C18H12Br3N7O
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| Molecular Weight |
582.054
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| Canonical SMILES |
Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C18H12Br3N7O/c19-11-7-13(21)12(20)6-9(11)3-4-27-8-10-15(25-27)24-18(22)28-17(10)23-16(26-28)14-2-1-5-29-14/h1-2,5-8H,3-4H2,(H2,22,24,25)
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| InChIKey |
QYNQDOYOHRANSN-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