General Information of the Compound
| Compound ID |
CP0926872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-Octadec-9-enoic acid (S)-4-fluoro-2-hydroxy-4-phosphono-butyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H42FO6P
|
||||||||||||||||||
| Molecular Weight |
452.544
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CC(F)P(=O)(O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H42FO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)29-19-20(24)18-21(23)30(26,27)28/h9-10,20-21,24H,2-8,11-19H2,1H3,(H2,26,27,28)/b10-9+/t20-,21?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRZFDGAGYVFBGZ-WUFOMUAUSA-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