General Information of the Compound
| Compound ID |
CP0151608
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| Compound Name |
1-[2-Furan-2-yl-8-(2-naphthalen-1-yl-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 |
C30H24N8O3
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| Molecular Weight |
544.575
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1
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| InChI |
InChI=1S/C30H24N8O3/c1-40-22-13-11-21(12-14-22)31-30(39)34-29-33-26-24(28-32-27(36-38(28)29)25-10-5-17-41-25)18-37(35-26)16-15-20-8-4-7-19-6-2-3-9-23(19)20/h2-14,17-18H,15-16H2,1H3,(H2,31,33,34,35,39)
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| InChIKey |
VQYJAIHIXOQQPT-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