General Information of the Compound
| Compound ID |
CP0473109
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| Compound Name |
N-[3,5-dicyano-4-(furan-2-yl)-6-(2-hydroxyethylsulfanyl)pyridin-2-yl]acetamide
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| Structure |
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| Formula |
C15H12N4O3S
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| Molecular Weight |
328.353
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| Canonical SMILES |
CC(=O)Nc1nc(SCCO)c(C#N)c(-c2ccco2)c1C#N
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| InChI |
InChI=1S/C15H12N4O3S/c1-9(21)18-14-10(7-16)13(12-3-2-5-22-12)11(8-17)15(19-14)23-6-4-20/h2-3,5,20H,4,6H2,1H3,(H,18,19,21)
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| InChIKey |
XUSDDLLNFIURBQ-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
Protein ID: PT01279, Adenosine receptor A3