General Information of the Compound
| Compound ID |
CP0462072
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| Compound Name |
N-[4,6-bis(3-methoxyphenyl)pyridin-2-yl]acetamide
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| Structure |
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| Formula |
C21H20N2O3
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| Molecular Weight |
348.402
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| Canonical SMILES |
COc1cccc(c1)-c1cc(NC(C)=O)nc(c1)-c1cccc(OC)c1
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| InChI |
InChI=1S/C21H20N2O3/c1-14(24)22-21-13-17(15-6-4-8-18(10-15)25-2)12-20(23-21)16-7-5-9-19(11-16)26-3/h4-13H,1-3H3,(H,22,23,24)
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| InChIKey |
ACAPPVZXNGABBJ-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
Protein ID: PT01279, Adenosine receptor A3