General Information of the Compound
| Compound ID |
CP0474142
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[3-methyl-5-[[methyl(propyl)amino]methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38N4O5
|
||||||||||||||||||
| Molecular Weight |
510.635
|
||||||||||||||||||
| Canonical SMILES |
CCCN(C)Cc1cc(C)cc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38N4O5/c1-6-8-32(5)15-20-9-18(3)10-23(12-20)28-30-27(31-37-28)22-11-19(4)26(21(7-2)13-22)36-17-24(34)14-29-25(35)16-33/h9-13,24,33-34H,6-8,14-17H2,1-5H3,(H,29,35)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILYBJPXUBAXQSY-DEOSSOPVSA-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