General Information of the Compound
| Compound ID |
CP0133194
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| Compound Name |
1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxyphenyl)urea
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| Structure |
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| Formula |
C19H16N8O3
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| Molecular Weight |
404.39
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| Canonical SMILES |
COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1
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| InChI |
InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)
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| InChIKey |
AQNRHHRYYOZUOC-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