General Information of the Compound
| Compound ID |
CP0309505
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| Compound Name |
2-((1H-imidazol-2-yl)methylthio)-6-amino-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C18H14N6OS
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| Molecular Weight |
362.418
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| Canonical SMILES |
COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
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| InChI |
InChI=1S/C18H14N6OS/c1-25-12-4-2-11(3-5-12)16-13(8-19)17(21)24-18(14(16)9-20)26-10-15-22-6-7-23-15/h2-7H,10H2,1H3,(H2,21,24)(H,22,23)
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| InChIKey |
BCWROVBBUOSFGD-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