General Information of the Compound
| Compound ID |
CP0501647
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| Compound Name |
6-methoxy-3-(methylsulfonyl)-4-phenethylquinolin-2(1H)-one
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| Structure |
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| Formula |
C19H19NO4S
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| Molecular Weight |
357.431
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| Canonical SMILES |
COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)S(C)(=O)=O
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| InChI |
InChI=1S/C19H19NO4S/c1-24-14-9-11-17-16(12-14)15(10-8-13-6-4-3-5-7-13)18(19(21)20-17)25(2,22)23/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,21)
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| InChIKey |
BXUGBCMKSUJJPL-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