General Information of the Compound
| Compound ID |
CP0520208
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-(3-phenoxyphenoxy)-6-(trifluoromethyl)pyridin-4-yl]methanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15F3N2O2
|
||||||||||||||||||
| Molecular Weight |
360.335
|
||||||||||||||||||
| Canonical SMILES |
NCc1cc(Oc2cccc(Oc3ccccc3)c2)nc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15F3N2O2/c20-19(21,22)17-9-13(12-23)10-18(24-17)26-16-8-4-7-15(11-16)25-14-5-2-1-3-6-14/h1-11H,12,23H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYKKVMXTDTXEFH-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
Protein ID: PT04868, Lysyl oxidase homolog 2
Protein ID: PT05764, Protein-lysine 6-oxidase