General Information of the Compound
| Compound ID |
CP0386032
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| Compound Name |
N-benzyl-2-[[3-(furan-2-yl)-2-oxo-4-(2-phenylethyl)-1H-quinolin-6-yl]oxy]acetamide
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| Structure |
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| Formula |
C30H26N2O4
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| Molecular Weight |
478.548
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| Canonical SMILES |
O=C(COc1ccc2[nH]c(=O)c(-c3ccco3)c(CCc3ccccc3)c2c1)NCc1ccccc1
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| InChI |
InChI=1S/C30H26N2O4/c33-28(31-19-22-10-5-2-6-11-22)20-36-23-14-16-26-25(18-23)24(15-13-21-8-3-1-4-9-21)29(30(34)32-26)27-12-7-17-35-27/h1-12,14,16-18H,13,15,19-20H2,(H,31,33)(H,32,34)
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| InChIKey |
KDHZKQLELOMRGT-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