General Information of the Compound
| Compound ID |
CP0379605
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[2,6-dimethyl-4-[3-[5-(2-methylpropyl)thiophen-2-yl]-3-oxopropyl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33NO5S
|
||||||||||||||||||
| Molecular Weight |
447.597
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Cc1ccc(s1)C(=O)CCc1cc(C)c(OCC(O)CNC(=O)CO)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33NO5S/c1-15(2)9-20-6-8-22(31-20)21(28)7-5-18-10-16(3)24(17(4)11-18)30-14-19(27)12-25-23(29)13-26/h6,8,10-11,15,19,26-27H,5,7,9,12-14H2,1-4H3,(H,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BKGDRMGLOODFKZ-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