General Information of the Compound
| Compound ID |
CP0456565
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[2-(3-propylsulfonylphenyl)ethynyl]-4-(trifluoromethyl)phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17F3O5S
|
||||||||||||||||||
| Molecular Weight |
426.412
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)c1cccc(c1)C#Cc1cc(ccc1OCC(O)=O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17F3O5S/c1-2-10-29(26,27)17-5-3-4-14(11-17)6-7-15-12-16(20(21,22)23)8-9-18(15)28-13-19(24)25/h3-5,8-9,11-12H,2,10,13H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSUFWQPYQAQTBO-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