General Information of the Compound
| Compound ID |
CP0382462
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| Compound Name |
2-[3-(2-furan-2-yl-8-methy-8H-pyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl)-ureido]pyridinium N-oxide
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| Formula |
C17H13N9O3
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| Molecular Weight |
391.351
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| Canonical SMILES |
Cn1cc2c(n1)nc(NC(=O)Nc1cccc[n+]1[O-])n1nc(nc21)-c1ccco1
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| InChI |
InChI=1S/C17H13N9O3/c1-24-9-10-13(22-24)20-16(21-17(27)18-12-6-2-3-7-25(12)28)26-15(10)19-14(23-26)11-5-4-8-29-11/h2-9H,1H3,(H2,18,20,21,22,27)
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| InChIKey |
NQZFCYATTXZYSI-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