General Information of the Compound
| Compound ID |
CP0422261
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| Compound Name |
4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-amine
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| Synonyms |
Adenosine A2b receptor antagonists (inflammation), Almirall
LAS-101057
LAS-38096
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| Structure |
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| Formula |
C17H12N6O
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| Molecular Weight |
316.324
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| Canonical SMILES |
N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
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| InChI |
InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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| InChIKey |
YRPIMMMBNUUYLG-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: PT04823, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound