General Information of the Compound
| Compound ID |
CP0508073
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-amino-2-(hydroxymethyl)-4-[4-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]butyl] dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N2O7P
|
||||||||||||||||||
| Molecular Weight |
448.412
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N2O7P/c1-28-18-8-6-17(7-9-18)20-23-19(12-29-20)16-4-2-15(3-5-16)10-11-21(22,13-24)14-30-31(25,26)27/h2-9,12,24H,10-11,13-14,22H2,1H3,(H2,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDCAOJUCTNZIPQ-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