General Information of the Compound
| Compound ID |
CP0380533
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| Compound Name |
2-(2-oxo-3-(thiazol-2-yl)-4-(3,3,3-trifluoropropyl)-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide
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| Structure |
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| Formula |
C26H24F3N3O3S
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| Molecular Weight |
515.557
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| Canonical SMILES |
CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCC(F)(F)F)c2c1)c1ccccc1
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| InChI |
InChI=1S/C26H24F3N3O3S/c1-25(2,16-6-4-3-5-7-16)32-21(33)15-35-17-8-9-20-19(14-17)18(10-11-26(27,28)29)22(23(34)31-20)24-30-12-13-36-24/h3-9,12-14H,10-11,15H2,1-2H3,(H,31,34)(H,32,33)
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| InChIKey |
IXGGHXNKNILFJL-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