General Information of the Compound
| Compound ID |
CP0435580
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| Compound Name |
4'-(2-furyl)-N-pyrimidin-5-yl-4,5'-bipyrimidin-2'-amine
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| Structure |
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| Formula |
C16H11N7O
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| Molecular Weight |
317.312
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| Canonical SMILES |
N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
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| InChI |
InChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23)
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| InChIKey |
MIWVUJKIMLESNF-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