General Information of the Compound
| Compound ID |
CP0386086
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| Compound Name |
N-tert-butyl-2-[[2-oxo-4-(2-phenylethyl)-3-(1,3-thiazol-2-yl)-1H-quinolin-6-yl]oxy]acetamide
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| Structure |
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| Formula |
C26H27N3O3S
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| Molecular Weight |
461.587
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| Canonical SMILES |
CC(C)(C)NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1
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| InChI |
InChI=1S/C26H27N3O3S/c1-26(2,3)29-22(30)16-32-18-10-12-21-20(15-18)19(11-9-17-7-5-4-6-8-17)23(24(31)28-21)25-27-13-14-33-25/h4-8,10,12-15H,9,11,16H2,1-3H3,(H,28,31)(H,29,30)
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| InChIKey |
UMNXXGXJFQHEGZ-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: PT01278, Adenosine receptor A2b