General Information of the Compound
| Compound ID |
CP0476414
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(3-phenylphenoxy)phenyl]hex-4-ynoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20O3
|
||||||||||||||||||
| Molecular Weight |
356.421
|
||||||||||||||||||
| Canonical SMILES |
CC#CC(CC(O)=O)c1ccc(Oc2cccc(c2)-c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20O3/c1-2-7-20(17-24(25)26)19-12-14-22(15-13-19)27-23-11-6-10-21(16-23)18-8-4-3-5-9-18/h3-6,8-16,20H,17H2,1H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQIUXRHHFDVXQN-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