General Information of the Compound
| Compound ID |
CP0386035
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| Compound Name |
N-(3-methoxypropyl)-2-[[3-methylsulfonyl-2-oxo-4-(2-phenylethyl)-1H-quinolin-6-yl]oxy]acetamide
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| Structure |
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| Formula |
C24H28N2O6S
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| Molecular Weight |
472.563
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| Canonical SMILES |
COCCCNC(=O)COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)S(C)(=O)=O
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| InChI |
InChI=1S/C24H28N2O6S/c1-31-14-6-13-25-22(27)16-32-18-10-12-21-20(15-18)19(11-9-17-7-4-3-5-8-17)23(24(28)26-21)33(2,29)30/h3-5,7-8,10,12,15H,6,9,11,13-14,16H2,1-2H3,(H,25,27)(H,26,28)
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| InChIKey |
BOVAPDGGXUWXJS-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