General Information of the Compound
| Compound ID |
CP0408710
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-(hexadecanoylamino)-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propyl] dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H52NO7P
|
||||||||||||||||||
| Molecular Weight |
605.753
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)NC(COP(O)(O)=O)Cc1ccc(OCc2cccc(OC)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H52NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-33(35)34-30(27-41-42(36,37)38)24-28-20-22-31(23-21-28)40-26-29-17-16-18-32(25-29)39-2/h16-18,20-23,25,30H,3-15,19,24,26-27H2,1-2H3,(H,34,35)(H2,36,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PEFIOAADNRWHCX-UHFFFAOYSA-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