General Information of the Compound
| Compound ID |
CP0386013
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| Compound Name |
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide
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| Synonyms |
820961-46-4
AKOS030569389
BDBM50157671
Butanamide, N-(2,6-diphenyl-4-pyrimidinyl)-2-ethyl-
CHEMBL390535
CTK3E2657
DTXSID00463914
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
SCHEMBL4827158
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| Structure |
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| Formula |
C22H23N3O
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| Molecular Weight |
345.446
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| Canonical SMILES |
CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C22H23N3O/c1-3-16(4-2)22(26)25-20-15-19(17-11-7-5-8-12-17)23-21(24-20)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,23,24,25,26)
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| InChIKey |
ZMYSFVQFZFGCMP-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
Clinical Information about the Compound