General Information of the Compound
| Compound ID |
CP0443817
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| Compound Name |
2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C14H11N5OS
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| Molecular Weight |
297.343
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| Canonical SMILES |
Nc1nc(SCCO)c(C#N)c(-c2cccnc2)c1C#N
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| InChI |
InChI=1S/C14H11N5OS/c15-6-10-12(9-2-1-3-18-8-9)11(7-16)14(19-13(10)17)21-5-4-20/h1-3,8,20H,4-5H2,(H2,17,19)
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| InChIKey |
ZEJGBMJTWGELMY-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: PT01278, Adenosine receptor A2b