General Information of the Compound
| Compound ID |
CP0445563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-[5-(5-butylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N3O5S
|
||||||||||||||||||
| Molecular Weight |
459.568
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1ccc(s1)-c1nc(no1)-c1cc(C)c(OCC(O)CNC(=O)CO)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N3O5S/c1-4-5-6-18-7-8-19(32-18)23-25-22(26-31-23)16-9-14(2)21(15(3)10-16)30-13-17(28)11-24-20(29)12-27/h7-10,17,27-28H,4-6,11-13H2,1-3H3,(H,24,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQGGVDHMJPUDGR-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