General Information of the Compound
| Compound ID |
CP0398044
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| Compound Name |
2-(3-(2,4-difluorophenyl)-1-methyl-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)-N-(3-methoxypropyl)acetamide
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| Structure |
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| Formula |
C30H30F2N2O4
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| Molecular Weight |
520.576
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| Canonical SMILES |
COCCCNC(=O)COc1ccc2n(C)c(=O)c(c(CCc3ccccc3)c2c1)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C30H30F2N2O4/c1-34-27-14-11-22(38-19-28(35)33-15-6-16-37-2)18-25(27)23(12-9-20-7-4-3-5-8-20)29(30(34)36)24-13-10-21(31)17-26(24)32/h3-5,7-8,10-11,13-14,17-18H,6,9,12,15-16,19H2,1-2H3,(H,33,35)
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| InChIKey |
KMDIEDRJRBECGD-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