General Information of the Compound
| Compound ID |
CP0532764
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]butoxy]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19F3N2O5
|
||||||||||||||||||
| Molecular Weight |
412.364
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(OCCCCNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19F3N2O5/c20-19(21,22)29-16-9-5-14(6-10-16)24-18(27)23-11-1-2-12-28-15-7-3-13(4-8-15)17(25)26/h3-10H,1-2,11-12H2,(H,25,26)(H2,23,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VGUKZSLXBVJRLW-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: PT01103, Bifunctional epoxide hydrolase 2
Protein ID: PT01099, Fatty-acid amide hydrolase 1