General Information of the Compound
| Compound ID |
CP0430690
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4-(4'-butoxy-2',5'-difluorobiphenyl-4-yl)-2-(hydroxymethyl)butyl dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28F2NO6P
|
||||||||||||||||||
| Molecular Weight |
459.426
|
||||||||||||||||||
| Canonical SMILES |
CCCCOc1cc(F)c(cc1F)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28F2NO6P/c1-2-3-10-29-20-12-18(22)17(11-19(20)23)16-6-4-15(5-7-16)8-9-21(24,13-25)14-30-31(26,27)28/h4-7,11-12,25H,2-3,8-10,13-14,24H2,1H3,(H2,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SPYWTTPKTMFRKZ-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