General Information of the Compound
| Compound ID |
CP0906686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4-(4-(3-(benzyloxy)phenylthio)-2-chlorophenyl)-2-(hydroxymethyl)butyl dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27ClNO6PS
|
||||||||||||||||||
| Molecular Weight |
523.975
|
||||||||||||||||||
| Canonical SMILES |
NC(CO)(CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl)COP(=O)(O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27ClNO6PS/c25-23-14-22(10-9-19(23)11-12-24(26,16-27)17-32-33(28,29)30)34-21-8-4-7-20(13-21)31-15-18-5-2-1-3-6-18/h1-10,13-14,27H,11-12,15-17,26H2,(H2,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JZHXIFZZZFFZBQ-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