General Information of the Compound
| Compound ID |
CP0575248
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[3-(4-ethoxy-2,6-dimethylphenyl)phenyl]methylamino]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27NO4
|
||||||||||||||||||
| Molecular Weight |
405.494
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(C)c(c(C)c1)-c1cccc(CNc2ccc(OCC(O)=O)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27NO4/c1-4-29-23-12-17(2)25(18(3)13-23)20-7-5-6-19(14-20)15-26-21-8-10-22(11-9-21)30-16-24(27)28/h5-14,26H,4,15-16H2,1-3H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WLXUAGIRJMUEEW-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