General Information of the Compound
| Compound ID |
CP0400766
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[4-(butylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]methyl]-3-methoxyphenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28Cl2N2O6S
|
||||||||||||||||||
| Molecular Weight |
579.502
|
||||||||||||||||||
| Canonical SMILES |
CCCCNC(=O)c1ccc(Cc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28Cl2N2O6S/c1-3-4-11-30-27(34)20-8-7-18(14-19-6-5-17(13-26(32)33)12-24(19)37-2)23(15-20)31-38(35,36)25-10-9-21(28)16-22(25)29/h5-10,12,15-16,31H,3-4,11,13-14H2,1-2H3,(H,30,34)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SEFUUBHRADLDJQ-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