General Information of the Compound
| Compound ID |
CP0439992
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| Compound Name |
2-(cyclopentylamino)-4-(furan-2-yl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C18H18N4O2S
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| Molecular Weight |
354.435
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| Canonical SMILES |
OCCSc1nc(NC2CCCC2)c(C#N)c(-c2ccco2)c1C#N
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| InChI |
InChI=1S/C18H18N4O2S/c19-10-13-16(15-6-3-8-24-15)14(11-20)18(25-9-7-23)22-17(13)21-12-4-1-2-5-12/h3,6,8,12,23H,1-2,4-5,7,9H2,(H,21,22)
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| InChIKey |
LRKKGLJARNJWEK-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