General Information of the Compound
| Compound ID |
CP0465294
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-fluoro-4-[2-[2-(2-methylsulfonylethoxymethyl)phenyl]ethynyl]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21FO5S
|
||||||||||||||||||
| Molecular Weight |
404.459
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)CCOCc1ccccc1C#Cc1ccc(CCC(O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21FO5S/c1-28(25,26)13-12-27-15-19-5-3-2-4-17(19)8-6-16-7-9-18(20(22)14-16)10-11-21(23)24/h2-5,7,9,14H,10-13,15H2,1H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UMRQJURSOGCUGX-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