General Information of the Compound
| Compound ID |
CP0403242
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-amino-4-[4-[4-(2-ethyl-1,3-oxazol-4-yl)phenyl]phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28ClN2O6P
|
||||||||||||||||||
| Molecular Weight |
482.901
|
||||||||||||||||||
| Canonical SMILES |
Cl.CCc1nc(co1)-c1ccc(cc1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N2O6P.ClH/c1-2-21-24-20(13-29-21)19-9-7-18(8-10-19)17-5-3-16(4-6-17)11-12-22(23,14-25)15-30-31(26,27)28;/h3-10,13,25H,2,11-12,14-15,23H2,1H3,(H2,26,27,28);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CRNSOLYRVFRPHX-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3