General Information of the Compound
| Compound ID |
CP0461409
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-chloro-2-[2-[5-(dimethylsulfamoyl)-2-methylpyridin-3-yl]ethynyl]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17ClN2O5S
|
||||||||||||||||||
| Molecular Weight |
408.863
|
||||||||||||||||||
| Canonical SMILES |
CN(C)S(=O)(=O)c1cnc(C)c(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17ClN2O5S/c1-12-13(9-16(10-20-12)27(24,25)21(2)3)4-5-14-8-15(19)6-7-17(14)26-11-18(22)23/h6-10H,11H2,1-3H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BBXNMEMVSYRGJC-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