General Information of the Compound
| Compound ID |
CP0486927
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| Compound Name |
2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C15H10N4O3
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| Molecular Weight |
294.27
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| Canonical SMILES |
COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
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| InChI |
InChI=1S/C15H10N4O3/c1-20-15-10(6-17)13(9(5-16)14(18)19-15)8-2-3-11-12(4-8)22-7-21-11/h2-4H,7H2,1H3,(H2,18,19)
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| InChIKey |
ABLFQJZRWXQNFZ-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