General Information of the Compound
| Compound ID |
CP0540684
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| Compound Name |
2-amino-4-[4-(cyclopropylmethoxy)phenyl]-6-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C23H19N5OS
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| Molecular Weight |
413.506
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| Canonical SMILES |
Nc1nc(SCc2cccnc2)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
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| InChI |
InChI=1S/C23H19N5OS/c24-10-19-21(17-5-7-18(8-6-17)29-13-15-3-4-15)20(11-25)23(28-22(19)26)30-14-16-2-1-9-27-12-16/h1-2,5-9,12,15H,3-4,13-14H2,(H2,26,28)
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| InChIKey |
TZCJTTSIIJEDBO-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