General Information of the Compound
| Compound ID |
CP0500293
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| Compound Name |
4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicotinic acid 2-fluoro-ethyl ester
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| Structure |
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| Formula |
C21H24FNO3S
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| Molecular Weight |
389.492
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| Canonical SMILES |
CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC
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| InChI |
InChI=1S/C21H24FNO3S/c1-4-15-17(21(25)27-6-3)16(5-2)23-19(14-10-8-7-9-11-14)18(15)20(24)26-13-12-22/h7-11H,4-6,12-13H2,1-3H3
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| InChIKey |
ZHOWYLFZKMSPTC-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: PT01279, Adenosine receptor A3
Protein ID: PT01827, Adenosine receptor A3