General Information of the Compound
| Compound ID |
CP0404984
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{4-[(2'-Chlorobiphenyl-3-yl)methoxy]phenyl}propanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19ClO3
|
||||||||||||||||||
| Molecular Weight |
366.844
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccc2Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19ClO3/c23-21-7-2-1-6-20(21)18-5-3-4-17(14-18)15-26-19-11-8-16(9-12-19)10-13-22(24)25/h1-9,11-12,14H,10,13,15H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGUHNQJKNPCQFF-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