General Information of the Compound
| Compound ID |
CP0374988
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| Compound Name |
N-[(3,4-dichlorophenyl)methyl]-N-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 |
C28H26Cl2N2O5S
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| Molecular Weight |
573.498
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| Canonical SMILES |
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)S(C)(=O)=O
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| InChI |
InChI=1S/C28H26Cl2N2O5S/c1-32(16-19-9-12-23(29)24(30)14-19)26(33)17-37-20-10-13-25-22(15-20)21(11-8-18-6-4-3-5-7-18)27(28(34)31-25)38(2,35)36/h3-7,9-10,12-15H,8,11,16-17H2,1-2H3,(H,31,34)
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| InChIKey |
JTSYTEBKLVVQPE-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