General Information of the Compound
| Compound ID |
CP0896940
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S,Z)-O-2-methoxy-3-(octadec-9-enyloxy)propyl O,O-dihydrogen phosphorothioate
Show/Hide
|
||||||||||||||||||
| Synonyms |
CHEMBL3621962
GTPL2913
[(2S)-2-methoxy-3-[(9Z)-octadec-9-en-1-yloxy]propoxy](sulfanylidene)phosphonous acid
alkyl OMPT
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H45O5PS
|
||||||||||||||||||
| Molecular Weight |
452.638
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCC/C=C\CCCCCCCCOC[C@@H](COP(O)(O)=S)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H45O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22(25-2)21-27-28(23,24)29/h10-11,22H,3-9,12-21H2,1-2H3,(H2,23,24,29)/b11-10-/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FEHMGBUAJYEJMW-YRBAHSOBSA-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
Protein ID: PT03925, Lysophosphatidic acid receptor 1
Protein ID: PT02824, Lysophosphatidic acid receptor 3
Clinical Information about the Compound