General Information of the Compound
| Compound ID |
CP0541600
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[6-(2-methylpropyl)pyridin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N4O5
|
||||||||||||||||||
| Molecular Weight |
468.554
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CC(C)C)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N4O5/c1-5-17-10-19(9-16(4)23(17)33-14-21(31)12-27-22(32)13-30)24-28-25(34-29-24)18-6-7-20(26-11-18)8-15(2)3/h6-7,9-11,15,21,30-31H,5,8,12-14H2,1-4H3,(H,27,32)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQWWHUICSFOVNE-NRFANRHFSA-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