General Information of the Compound
| Compound ID |
CP0510108
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-fluorobenzaldehyde O-4-(octyloxy)phenylcarbamoyl oxime
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27FN2O3
|
||||||||||||||||||
| Molecular Weight |
386.467
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCOc1ccc(NC(=O)O\N=C\c2ccc(F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27FN2O3/c1-2-3-4-5-6-7-16-27-21-14-12-20(13-15-21)25-22(26)28-24-17-18-8-10-19(23)11-9-18/h8-15,17H,2-7,16H2,1H3,(H,25,26)/b24-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLJJEQKNYRYSNX-JJIBRWJFSA-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