General Information of the Compound
Compound ID |
CP0452621
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
2,2-dimethyl-5-(4-phenoxyphenoxy)pentanoic acid
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C19H22O4
|
||||||||||||||||||
Molecular Weight |
314.381
|
||||||||||||||||||
Canonical SMILES |
CC(C)(CCCOc1ccc(Oc2ccccc2)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C19H22O4/c1-19(2,18(20)21)13-6-14-22-15-9-11-17(12-10-15)23-16-7-4-3-5-8-16/h3-5,7-12H,6,13-14H2,1-2H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
InChIKey |
WKDYWFYYJXEQNF-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