General Information of the Compound
| Compound ID |
CP0511805
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{4-[(2',6'-Dimethylbiphenyl-3-yl)methoxy]phenyl}butanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26O3
|
||||||||||||||||||
| Molecular Weight |
374.48
|
||||||||||||||||||
| Canonical SMILES |
CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26O3/c1-17-6-4-7-18(2)25(17)22-9-5-8-20(15-22)16-28-23-12-10-21(11-13-23)19(3)14-24(26)27/h4-13,15,19H,14,16H2,1-3H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BBONBXQNPVADJZ-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