General Information of the Compound
| Compound ID |
CP0395861
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| Compound Name |
N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
CCCC(=O)Nc1cc(nc(n1)-c1ccccc1OC)-c1ccccc1OC
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| InChI |
InChI=1S/C22H23N3O3/c1-4-9-21(26)24-20-14-17(15-10-5-7-12-18(15)27-2)23-22(25-20)16-11-6-8-13-19(16)28-3/h5-8,10-14H,4,9H2,1-3H3,(H,23,24,25,26)
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| InChIKey |
KOLMGJNPBKWHGS-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: PT01279, Adenosine receptor A3