General Information of the Compound
| Compound ID |
CP0545363
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium;1-[[4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]methyl]azetidine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F3N2NaO4
|
||||||||||||||||||
| Molecular Weight |
484.45
|
||||||||||||||||||
| Canonical SMILES |
[Na+].CC(C)Oc1ccc(cc1C(F)(F)F)C1CC(=NO1)c1ccc(CN2CC(C2)C([O-])=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25F3N2O4.Na/c1-14(2)32-21-8-7-17(9-19(21)24(25,26)27)22-10-20(28-33-22)16-5-3-15(4-6-16)11-29-12-18(13-29)23(30)31;/h3-9,14,18,22H,10-13H2,1-2H3,(H,30,31);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FGDSVJCKZKRYBF-UHFFFAOYSA-M
|
||||||||||||||||||
| 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 | |||||||||||||||||||
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