General Information of the Compound
| Compound ID |
CP0374991
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| Compound Name |
2-(2-oxo-4-(phenoxymethyl)-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 |
C30H27N3O4S
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| Molecular Weight |
525.63
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| Canonical SMILES |
CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1
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| InChI |
InChI=1S/C30H27N3O4S/c1-30(2,20-9-5-3-6-10-20)33-26(34)19-37-22-13-14-25-23(17-22)24(18-36-21-11-7-4-8-12-21)27(28(35)32-25)29-31-15-16-38-29/h3-17H,18-19H2,1-2H3,(H,32,35)(H,33,34)
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| InChIKey |
SGRFKSNNYWYIRG-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