General Information of the Compound
| Compound ID |
CP0501818
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| Compound Name |
2-(3-(2,4-difluorophenyl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)-N-(3-methoxypropyl)acetamide
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| Structure |
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| Formula |
C29H28F2N2O4
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| Molecular Weight |
506.549
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| Canonical SMILES |
COCCCNC(=O)COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C29H28F2N2O4/c1-36-15-5-14-32-27(34)18-37-21-10-13-26-24(17-21)22(11-8-19-6-3-2-4-7-19)28(29(35)33-26)23-12-9-20(30)16-25(23)31/h2-4,6-7,9-10,12-13,16-17H,5,8,11,14-15,18H2,1H3,(H,32,34)(H,33,35)
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| InChIKey |
KYJQFDVGXFGBEN-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