General Information of the Compound
| Compound ID |
CP0943456
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((4-isopropylphenoxy)methyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18O3
|
||||||||||||||||||
| Molecular Weight |
270.328
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(OCc2cccc(C(=O)O)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18O3/c1-12(2)14-6-8-16(9-7-14)20-11-13-4-3-5-15(10-13)17(18)19/h3-10,12H,11H2,1-2H3,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CJNBIZCLHOSLTO-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