General Information of the Compound
| Compound ID |
CP0508745
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-amino-4-[4-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24ClN2O6P
|
||||||||||||||||||
| Molecular Weight |
466.858
|
||||||||||||||||||
| Canonical SMILES |
NC(CO)(CCc1ccc(cc1)-c1coc(Cc2ccc(Cl)cc2)n1)COP(O)(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24ClN2O6P/c22-18-7-3-16(4-8-18)11-20-24-19(12-29-20)17-5-1-15(2-6-17)9-10-21(23,13-25)14-30-31(26,27)28/h1-8,12,25H,9-11,13-14,23H2,(H2,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUAGZXYQWHROPU-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