General Information of the Compound
| Compound ID |
CP0549085
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (2E)-2-[2-[[3-(cyanomethoxy)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N2O5
|
||||||||||||||||||
| Molecular Weight |
354.362
|
||||||||||||||||||
| Canonical SMILES |
CO\N=C(\C(=O)OC)c1ccccc1COc1cccc(OCC#N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N2O5/c1-23-19(22)18(21-24-2)17-9-4-3-6-14(17)13-26-16-8-5-7-15(12-16)25-11-10-20/h3-9,12H,11,13H2,1-2H3/b21-18+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GAOSHPHIDOGEFW-DYTRJAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound