General Information of the Compound
| Compound ID |
CP0493659
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| Compound Name |
3-((4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-2-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C22H16FN5O
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| Molecular Weight |
385.402
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| Canonical SMILES |
COc1nccc(n1)-c1nc(Cc2cccc(c2)C#N)[nH]c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H16FN5O/c1-29-22-25-10-9-18(26-22)21-20(16-5-7-17(23)8-6-16)27-19(28-21)12-14-3-2-4-15(11-14)13-24/h2-11H,12H2,1H3,(H,27,28)
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| InChIKey |
LDUGJUMIJLPOML-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