General Information of the Compound
| Compound ID |
CP0030178
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| Compound Name |
1-[3-(4-methoxyphenyl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone
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| Structure |
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| Formula |
C21H19NO3
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| Molecular Weight |
333.387
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(ccc1OCc1ccccn1)C(C)=O
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| InChI |
InChI=1S/C21H19NO3/c1-15(23)17-8-11-21(25-14-18-5-3-4-12-22-18)20(13-17)16-6-9-19(24-2)10-7-16/h3-13H,14H2,1-2H3
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| InChIKey |
CCBNAUHIAYVYRM-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