General Information of the Compound
| Compound ID |
CP0401422
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| Compound Name |
2-Furan-2-yl-N*9*-(4-methoxy-phenyl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine-5,9-diamine
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| Structure |
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| Formula |
C18H16N8O2
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| Molecular Weight |
376.38
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| Canonical SMILES |
COc1ccc(Nc2n(C)nc3nc(N)n4nc(nc4c23)-c2ccco2)cc1
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| InChI |
InChI=1S/C18H16N8O2/c1-25-16(20-10-5-7-11(27-2)8-6-10)13-15(23-25)22-18(19)26-17(13)21-14(24-26)12-4-3-9-28-12/h3-9,20H,1-2H3,(H2,19,22,23)
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| InChIKey |
YSARQOUDKLYUTQ-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