General Information of the Compound
| Compound ID |
CP0441390
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-{[3-(2-Phenylethoxy)benzyl]oxy}phenyl)propanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24O4
|
||||||||||||||||||
| Molecular Weight |
376.452
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCc1ccc(OCc2cccc(OCCc3ccccc3)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24O4/c25-24(26)14-11-20-9-12-22(13-10-20)28-18-21-7-4-8-23(17-21)27-16-15-19-5-2-1-3-6-19/h1-10,12-13,17H,11,14-16,18H2,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQZWYPAJOGBXLT-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