General Information of the Compound
| Compound ID |
CP0502848
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| Compound Name |
1-(2-(furan-2-yl)-5-phenoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl)-3-phenylurea
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| Structure |
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| Formula |
C22H17N7O3
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| Molecular Weight |
427.424
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| Canonical SMILES |
Cc1ccc(NC(=O)Nc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
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| InChI |
InChI=1S/C22H17N7O3/c1-14-9-11-15(12-10-14)23-21(30)25-20-27-22(32-16-6-3-2-4-7-16)26-19-24-18(28-29(19)20)17-8-5-13-31-17/h2-13H,1H3,(H2,23,24,25,26,27,28,30)
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| InChIKey |
FJVKRIRXGLYLBO-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3