General Information of the Compound
| Compound ID |
CP0464245
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| Compound Name |
N-(5-cyano-4,6-diphenylpyrimidin-2-yl)-4-methoxybenzamide
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| Structure |
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| Formula |
C25H18N4O2
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| Molecular Weight |
406.445
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C25H18N4O2/c1-31-20-14-12-19(13-15-20)24(30)29-25-27-22(17-8-4-2-5-9-17)21(16-26)23(28-25)18-10-6-3-7-11-18/h2-15H,1H3,(H,27,28,29,30)
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| InChIKey |
KLCCTLLKMMFGQK-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