General Information of the Compound
| Compound ID |
CP0503027
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| Compound Name |
2-(4-(4-fluorophenethyl)-2-oxo-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide
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| Structure |
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| Formula |
C31H28FN3O3S
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| Molecular Weight |
541.648
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| Canonical SMILES |
CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1
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| InChI |
InChI=1S/C31H28FN3O3S/c1-31(2,21-6-4-3-5-7-21)35-27(36)19-38-23-13-15-26-25(18-23)24(14-10-20-8-11-22(32)12-9-20)28(29(37)34-26)30-33-16-17-39-30/h3-9,11-13,15-18H,10,14,19H2,1-2H3,(H,34,37)(H,35,36)
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| InChIKey |
IJWDNQIFSPLHJC-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