General Information of the Compound
| Compound ID |
CP0386034
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| Compound Name |
2-(4-isopentyl-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 |
C28H31N3O3S
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| Molecular Weight |
489.641
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| Canonical SMILES |
CC(C)CCc1c(-c2nccs2)c(=O)[nH]c2ccc(OCC(=O)NC(C)(C)c3ccccc3)cc12
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| InChI |
InChI=1S/C28H31N3O3S/c1-18(2)10-12-21-22-16-20(11-13-23(22)30-26(33)25(21)27-29-14-15-35-27)34-17-24(32)31-28(3,4)19-8-6-5-7-9-19/h5-9,11,13-16,18H,10,12,17H2,1-4H3,(H,30,33)(H,31,32)
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| InChIKey |
SKEXHBJQDVIRIW-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