General Information of the Compound
| Compound ID |
CP0405220
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| Compound Name |
2-amino-4-(4-ethoxyphenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C19H16N6OS
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| Molecular Weight |
376.445
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| Canonical SMILES |
CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
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| InChI |
InChI=1S/C19H16N6OS/c1-2-26-13-5-3-12(4-6-13)17-14(9-20)18(22)25-19(15(17)10-21)27-11-16-23-7-8-24-16/h3-8H,2,11H2,1H3,(H2,22,25)(H,23,24)
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| InChIKey |
MIKJZSSGWVFBKS-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