General Information of the Compound
| Compound ID |
CP0534326
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(2-(2,4-dichlorophenylsulfonamido)-4-(ethylcarbamoyl)phenoxy)-3-fluorophenyl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19Cl2FN2O6S
|
||||||||||||||||||
| Molecular Weight |
541.384
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2F)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19Cl2FN2O6S/c1-2-27-23(31)14-4-7-20(34-19-6-3-13(9-17(19)26)10-22(29)30)18(11-14)28-35(32,33)21-8-5-15(24)12-16(21)25/h3-9,11-12,28H,2,10H2,1H3,(H,27,31)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBTNDCCUHFIUHH-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
Protein ID: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2