General Information of the Compound
| Compound ID |
CP0386037
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| Compound Name |
N-[(3,4-dichlorophenyl)methyl]-2-[(4-methyl-3-methylsulfonyl-2-oxo-1H-quinolin-6-yl)oxy]acetamide
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| Structure |
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| Formula |
C20H18Cl2N2O5S
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| Molecular Weight |
469.346
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| Canonical SMILES |
Cc1c(c(=O)[nH]c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc12)S(C)(=O)=O
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| InChI |
InChI=1S/C20H18Cl2N2O5S/c1-11-14-8-13(4-6-17(14)24-20(26)19(11)30(2,27)28)29-10-18(25)23-9-12-3-5-15(21)16(22)7-12/h3-8H,9-10H2,1-2H3,(H,23,25)(H,24,26)
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| InChIKey |
HYCLBCJCMQNVKC-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