General Information of the Compound
| Compound ID |
CP0501667
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| Compound Name |
N-benzyl-2-[3-(2,4-difluorophenyl)-1-methyl-2-oxo-4-(2-phenylethyl)quinolin-6-yl]oxyacetamide
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| Structure |
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| Formula |
C33H28F2N2O3
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| Molecular Weight |
538.594
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| Canonical SMILES |
Cn1c2ccc(OCC(=O)NCc3ccccc3)cc2c(CCc2ccccc2)c(-c2ccc(F)cc2F)c1=O
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| InChI |
InChI=1S/C33H28F2N2O3/c1-37-30-17-14-25(40-21-31(38)36-20-23-10-6-3-7-11-23)19-28(30)26(15-12-22-8-4-2-5-9-22)32(33(37)39)27-16-13-24(34)18-29(27)35/h2-11,13-14,16-19H,12,15,20-21H2,1H3,(H,36,38)
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| InChIKey |
PVJNHUBIFGYWIU-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