General Information of the Compound
| Compound ID |
CP0881058
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| Compound Name |
5-[[(3-pyridyl)amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine hydrochloride
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| Structure |
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| Formula |
C17H14ClN9O2
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| Molecular Weight |
411.813
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| Canonical SMILES |
Cl.Cn1cc2c(nc(NC(=O)Nc3cccnc3)n3nc(-c4ccco4)nc23)n1
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| InChI |
InChI=1S/C17H13N9O2.ClH/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-2-6-18-8-10)26-15(11)20-14(24-26)12-5-3-7-28-12;/h2-9H,1H3,(H2,19,21,22,23,27);1H
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| InChIKey |
XGCQBFAGKHCCMK-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