General Information of the Compound
| Compound ID |
CP0965788
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((6-(trifluoromethyl)pyridin-3-yloxy)methyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H10F3NO3
|
||||||||||||||||||
| Molecular Weight |
297.232
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)c1cccc(COc2ccc(C(F)(F)F)nc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H10F3NO3/c15-14(16,17)12-5-4-11(7-18-12)21-8-9-2-1-3-10(6-9)13(19)20/h1-7H,8H2,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFCKKBPDUWGNKU-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