General Information of the Compound
| Compound ID |
CP0534958
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-4-hydroxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H12F7NO3
|
||||||||||||||||||
| Molecular Weight |
459.317
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(C(=O)Nc2ccc(Oc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H12F7NO3/c22-18-10-14(30)3-6-17(18)19(31)29-13-1-4-15(5-2-13)32-16-8-11(20(23,24)25)7-12(9-16)21(26,27)28/h1-10,30H,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBERTHNEZYUZBJ-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