General Information of the Compound
| Compound ID |
CP0909864
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4-(6-hexylnaphthalen-2-yl)-2-(hydroxymethyl)butyl dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H32NO5P
|
||||||||||||||||||
| Molecular Weight |
409.463
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCc1ccc2cc(CCC(N)(CO)COP(=O)(O)O)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32NO5P/c1-2-3-4-5-6-17-7-9-20-14-18(8-10-19(20)13-17)11-12-21(22,15-23)16-27-28(24,25)26/h7-10,13-14,23H,2-6,11-12,15-16,22H2,1H3,(H2,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHQNAEVVGDUWQK-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