General Information of the Compound
| Compound ID |
CP0393374
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-chloro-2-[2-(3-propylsulfonylphenyl)ethynyl]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17ClO5S
|
||||||||||||||||||
| Molecular Weight |
392.86
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)c1cccc(c1)C#Cc1c(Cl)cccc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClO5S/c1-2-11-26(23,24)15-6-3-5-14(12-15)9-10-16-17(20)7-4-8-18(16)25-13-19(21)22/h3-8,12H,2,11,13H2,1H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZMALXWJNXZOEB-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