General Information of the Compound
| Compound ID |
CP0492399
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[4-(butylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]-3-cyanophenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23Cl2N3O6S
|
||||||||||||||||||
| Molecular Weight |
576.458
|
||||||||||||||||||
| Canonical SMILES |
CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2C#N)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23Cl2N3O6S/c1-2-3-10-30-26(34)17-5-8-23(37-22-7-4-16(12-25(32)33)11-18(22)15-29)21(13-17)31-38(35,36)24-9-6-19(27)14-20(24)28/h4-9,11,13-14,31H,2-3,10,12H2,1H3,(H,30,34)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
STADHDDPEVIIQA-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