General Information of the Compound
| Compound ID |
CP0496617
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| Compound Name |
2-(2-oxo-4-phenethyl-3-(pyridin-3-yl)-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide
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| Structure |
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| Formula |
C33H31N3O3
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| Molecular Weight |
517.629
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| Canonical SMILES |
CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3cccnc3)c(CCc3ccccc3)c2c1)c1ccccc1
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| InChI |
InChI=1S/C33H31N3O3/c1-33(2,25-13-7-4-8-14-25)36-30(37)22-39-26-16-18-29-28(20-26)27(17-15-23-10-5-3-6-11-23)31(32(38)35-29)24-12-9-19-34-21-24/h3-14,16,18-21H,15,17,22H2,1-2H3,(H,35,38)(H,36,37)
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| InChIKey |
XDSPDXZCQDPZCX-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