General Information of the Compound
| Compound ID |
CP0506449
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-(N-(4-butylbenzyl)methylsulfonamido)phenyl)butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29NO4S
|
||||||||||||||||||
| Molecular Weight |
403.544
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1ccc(CN(c2ccc(CCCC(O)=O)cc2)S(C)(=O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29NO4S/c1-3-4-6-18-9-11-20(12-10-18)17-23(28(2,26)27)21-15-13-19(14-16-21)7-5-8-22(24)25/h9-16H,3-8,17H2,1-2H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPSJSGKFRUZCFJ-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: PT05828, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype