General Information of the Compound
| Compound ID |
CP0106489
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| Compound Name |
2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)-pyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C17H12N6OS
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| Molecular Weight |
348.391
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| Canonical SMILES |
Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2cccc(O)c2)c1C#N
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| InChI |
InChI=1S/C17H12N6OS/c18-7-12-15(10-2-1-3-11(24)6-10)13(8-19)17(23-16(12)20)25-9-14-21-4-5-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
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| InChIKey |
YZZLLEXNNOPPIX-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