General Information of the Compound
| Compound ID |
CP0529470
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| Compound Name |
N-[4,6-bis(2,3-dimethoxyphenyl)pyridin-2-yl]acetamide
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| Structure |
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| Formula |
C23H24N2O5
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| Molecular Weight |
408.454
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| Canonical SMILES |
COc1cccc(-c2cc(NC(C)=O)nc(c2)-c2cccc(OC)c2OC)c1OC
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| InChI |
InChI=1S/C23H24N2O5/c1-14(26)24-21-13-15(16-8-6-10-19(27-2)22(16)29-4)12-18(25-21)17-9-7-11-20(28-3)23(17)30-5/h6-13H,1-5H3,(H,24,25,26)
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| InChIKey |
VONDKCCTQLLMFX-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3