General Information of the Compound
Compound ID |
CP0333181
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Compound Name |
1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea
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Structure |
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Formula |
C25H19ClN8O2
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Molecular Weight |
498.934
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Canonical SMILES |
Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
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InChI |
InChI=1S/C25H19ClN8O2/c26-17-8-4-9-18(14-17)27-25(35)30-24-29-21-19(15-33(31-21)12-11-16-6-2-1-3-7-16)23-28-22(32-34(23)24)20-10-5-13-36-20/h1-10,13-15H,11-12H2,(H2,27,29,30,31,35)
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InChIKey |
PARJXHXDPQTXJY-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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