General Information of the Compound
| Compound ID |
CP0495937
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-chloro-2-[2-[3-(methylsulfonylmethyl)phenyl]ethynyl]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15ClO5S
|
||||||||||||||||||
| Molecular Weight |
378.833
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Cc1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15ClO5S/c1-25(22,23)12-14-4-2-3-13(9-14)5-6-15-10-16(19)7-8-17(15)24-11-18(20)21/h2-4,7-10H,11-12H2,1H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WZXGRRNSWVWDSV-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