General Information of the Compound
| Compound ID |
CP0380536
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| Compound Name |
N-[(3,4-dichlorophenyl)methyl]-2-[[3-methylsulfonyl-2-oxo-4-(2-phenylethyl)-1H-quinolin-6-yl]oxy]acetamide
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| Structure |
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| Formula |
C27H24Cl2N2O5S
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| Molecular Weight |
559.471
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| Canonical SMILES |
CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O
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| InChI |
InChI=1S/C27H24Cl2N2O5S/c1-37(34,35)26-20(10-7-17-5-3-2-4-6-17)21-14-19(9-12-24(21)31-27(26)33)36-16-25(32)30-15-18-8-11-22(28)23(29)13-18/h2-6,8-9,11-14H,7,10,15-16H2,1H3,(H,30,32)(H,31,33)
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| InChIKey |
YLOXHWSGECHWMF-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