General Information of the Compound
| Compound ID |
CP0902320
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| Compound Name |
4-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl)piperazine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C20H24N8O3
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| Molecular Weight |
424.465
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| Canonical SMILES |
Cn1cc2c(nc(N3CCN(C(=O)OC(C)(C)C)CC3)n3nc(-c4ccco4)nc23)n1
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| InChI |
InChI=1S/C20H24N8O3/c1-20(2,3)31-19(29)27-9-7-26(8-10-27)18-22-15-13(12-25(4)23-15)17-21-16(24-28(17)18)14-6-5-11-30-14/h5-6,11-12H,7-10H2,1-4H3
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| InChIKey |
AGFZTZOOZSHFHR-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