General Information of the Compound
| Compound ID |
CP0495695
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(2-(2,4-dichlorophenylsulfonamido)-4-(pentylcarbamoyl)phenoxy)-3-methoxyphenyl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28Cl2N2O7S
|
||||||||||||||||||
| Molecular Weight |
595.501
|
||||||||||||||||||
| Canonical SMILES |
CCCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28Cl2N2O7S/c1-3-4-5-12-30-27(34)18-7-10-22(38-23-9-6-17(14-26(32)33)13-24(23)37-2)21(15-18)31-39(35,36)25-11-8-19(28)16-20(25)29/h6-11,13,15-16,31H,3-5,12,14H2,1-2H3,(H,30,34)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHJCNCYKISVRJE-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