General Information of the Compound
| Compound ID |
CP0456032
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-amino-2-(hydroxymethyl)-4-[4-[2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]phenyl]butyl] dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N2O6P
|
||||||||||||||||||
| Molecular Weight |
460.467
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N2O6P/c1-16(2)18-7-9-20(10-8-18)22-25-21(13-30-22)19-5-3-17(4-6-19)11-12-23(24,14-26)15-31-32(27,28)29/h3-10,13,16,26H,11-12,14-15,24H2,1-2H3,(H2,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJOJKDPJECUQMO-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