General Information of the Compound
| Compound ID |
CP0962235
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((3-chloro-4-(trifluoromethyl)phenoxy)methyl)-5-(trifluoromethyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H9ClF6O3
|
||||||||||||||||||
| Molecular Weight |
398.686
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)c1cc(COc2ccc(C(F)(F)F)c(Cl)c2)cc(C(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H9ClF6O3/c17-13-6-11(1-2-12(13)16(21,22)23)26-7-8-3-9(14(24)25)5-10(4-8)15(18,19)20/h1-6H,7H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJDIFNUWLUDBIX-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