General Information of the Compound
| Compound ID |
CP0554783
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-3-[2-ethyl-4-[5-[3-ethyl-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H42N4O5
|
||||||||||||||||||
| Molecular Weight |
538.689
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(CN(C)CC(C)C)cc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H42N4O5/c1-7-21-10-22(16-34(6)15-19(3)4)12-25(11-21)30-32-29(33-39-30)24-9-20(5)28(23(8-2)13-24)38-18-26(36)14-31-27(37)17-35/h9-13,19,26,35-36H,7-8,14-18H2,1-6H3,(H,31,37)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHSWQSGTWGVPLE-SANMLTNESA-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