General Information of the Compound
| Compound ID |
CP0503079
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-chloro-2-[2-(2-methyl-5-propylsulfonylphenyl)ethynyl]phenoxy]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23ClO5S
|
||||||||||||||||||
| Molecular Weight |
434.941
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OC(CC)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23ClO5S/c1-4-12-29(26,27)19-10-6-15(3)16(14-19)7-8-17-13-18(23)9-11-21(17)28-20(5-2)22(24)25/h6,9-11,13-14,20H,4-5,12H2,1-3H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHSJWSZJCRTMJR-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