General Information of the Compound
| Compound ID |
CP0374989
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| Compound Name |
2-(3-cyano-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)-N-(3,4-dichlorobenzyl)acetamide
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| Structure |
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| Formula |
C27H21Cl2N3O3
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| Molecular Weight |
506.389
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| Canonical SMILES |
Clc1ccc(CNC(=O)COc2ccc3[nH]c(=O)c(C#N)c(CCc4ccccc4)c3c2)cc1Cl
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| InChI |
InChI=1S/C27H21Cl2N3O3/c28-23-10-7-18(12-24(23)29)15-31-26(33)16-35-19-8-11-25-21(13-19)20(22(14-30)27(34)32-25)9-6-17-4-2-1-3-5-17/h1-5,7-8,10-13H,6,9,15-16H2,(H,31,33)(H,32,34)
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| InChIKey |
WGKBQTPUQRZAOZ-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