General Information of the Compound
| Compound ID |
CP0437061
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| Compound Name |
5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}nicotinonitrile
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| Structure |
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| Formula |
C18H11N7O
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| Molecular Weight |
341.334
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| Canonical SMILES |
N#Cc1cncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
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| InChI |
InChI=1S/C18H11N7O/c19-7-12-6-13(9-21-8-12)24-18-22-10-14(15-3-4-20-11-23-15)17(25-18)16-2-1-5-26-16/h1-6,8-11H,(H,22,24,25)
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| InChIKey |
NXCTZWROGMLVKP-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