General Information of the Compound
| Compound ID |
CP0464383
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| Compound Name |
N-(5-cyano-4,6-diphenylpyrimidin-2-yl)butanamide
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| Structure |
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| Formula |
C21H18N4O
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| Molecular Weight |
342.402
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| Canonical SMILES |
CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C21H18N4O/c1-2-9-18(26)23-21-24-19(15-10-5-3-6-11-15)17(14-22)20(25-21)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,23,24,25,26)
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| InChIKey |
ZTAOSFCZIBRXKB-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