General Information of the Compound
| Compound ID |
CP0909865
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-2-(hydroxymethyl)-4-(4-(4-(4-isopropylphenyl)butyl)phenyl)butyl dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H36NO5P
|
||||||||||||||||||
| Molecular Weight |
449.528
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(CCCCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H36NO5P/c1-19(2)23-13-11-21(12-14-23)6-4-3-5-20-7-9-22(10-8-20)15-16-24(25,17-26)18-30-31(27,28)29/h7-14,19,26H,3-6,15-18,25H2,1-2H3,(H2,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SHPMKHOODRFJAB-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