General Information of the Compound
| Compound ID |
CP0374987
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| Compound Name |
2-(3-(methylsulfonyl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)-N-phenylacetamide
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| Structure |
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| Formula |
C26H24N2O5S
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| Molecular Weight |
476.554
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| Canonical SMILES |
CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)Nc3ccccc3)ccc2[nH]c1=O
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| InChI |
InChI=1S/C26H24N2O5S/c1-34(31,32)25-21(14-12-18-8-4-2-5-9-18)22-16-20(13-15-23(22)28-26(25)30)33-17-24(29)27-19-10-6-3-7-11-19/h2-11,13,15-16H,12,14,17H2,1H3,(H,27,29)(H,28,30)
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| InChIKey |
XZSDQSOTBNONQM-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