General Information of the Compound
| Compound ID |
CP0443785
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| Compound Name |
8-Ethyl-1-oxo-6-phenyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carboxylic acid propyl ester
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| Structure |
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| Formula |
C20H21NO3S
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| Molecular Weight |
355.459
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| Canonical SMILES |
CCCOC(=O)c1c2CCSC(=O)c2c(CC)nc1-c1ccccc1
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| InChI |
InChI=1S/C20H21NO3S/c1-3-11-24-19(22)17-14-10-12-25-20(23)16(14)15(4-2)21-18(17)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
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| InChIKey |
NJPFUDJNLIHKEL-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