General Information of the Compound
| Compound ID |
CP0851080
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4-(4-(4-(2-cyclopropyloxazol-4-yl)phenoxy)phenyl)-2-(hydroxymethyl)butyl dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N2O7P
|
||||||||||||||||||
| Molecular Weight |
474.45
|
||||||||||||||||||
| Canonical SMILES |
NC(CO)(CCc1ccc(Oc2ccc(-c3coc(C4CC4)n3)cc2)cc1)COP(=O)(O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N2O7P/c24-23(14-26,15-31-33(27,28)29)12-11-16-1-7-19(8-2-16)32-20-9-5-17(6-10-20)21-13-30-22(25-21)18-3-4-18/h1-2,5-10,13,18,26H,3-4,11-12,14-15,24H2,(H2,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOGYSNJBTFGRMD-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