General Information of the Compound
| Compound ID |
CP0220811
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| Compound Name |
1-{2-Furan-2-yl-8-[2-(2,4,5-tribromo-phenyl)-ethyl]-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl}-3-(4-methoxy-phenyl)-urea
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| Structure |
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| Formula |
C26H19Br3N8O3
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| Molecular Weight |
731.203
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)cc1
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| InChI |
InChI=1S/C26H19Br3N8O3/c1-39-16-6-4-15(5-7-16)30-26(38)33-25-32-22-17(24-31-23(35-37(24)25)21-3-2-10-40-21)13-36(34-22)9-8-14-11-19(28)20(29)12-18(14)27/h2-7,10-13H,8-9H2,1H3,(H2,30,32,33,34,38)
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| InChIKey |
LZFKHGMOYUQWQX-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