General Information of the Compound
| Compound ID |
CP0416796
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| Compound Name |
3-methoxy-4-[2-[3-(2-methylimidazol-1-yl)phenoxy]ethoxy]benzonitrile
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| Structure |
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| Formula |
C20H19N3O3
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| Molecular Weight |
349.39
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| Canonical SMILES |
COc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C)C#N
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| InChI |
InChI=1S/C20H19N3O3/c1-15-22-8-9-23(15)17-4-3-5-18(13-17)25-10-11-26-19-7-6-16(14-21)12-20(19)24-2/h3-9,12-13H,10-11H2,1-2H3
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| InChIKey |
MYLHNIBKADVMPD-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